Alpha-Terpineol-d3 (Propyl Methyl-d3)

CAT: 0572-TRC-T110652-100MGSize: 100 mgDry Ice: NoHazardous: No

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CAT#:0572-TRC-T110652-100MGSize:100 mg

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CAS Number

203633-12-9

Synonyms

3-Cyclohexene-1-methanol, α,4-dimethyl-α-(methyl-d3)- (9CI); α-Terpineol-d3; α-Terpineol-D3 (α-methyl D3)

Hazard Statement

No data available;

Purity

>95% (GC)

Smiles

[2H]C([2H])([2H])C(C)(O)C1CCC(=CC1)C

Molecular Formula

C10 2H3 H15 O

Molecular Weight

157.27

InChI

InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/i2D3

Additionnal Information

IUPAC name: 1,1,1-trideuterio-2-(4-methylcyclohex-3-en-1-yl)propan-2-ol

Shipping Conditions

Room Temperature

Storage Conditions

-20°C

Chemical Information

1,1,1-trideuterio-2-((1S)-4-methylcyclohex-3-en-1-yl)propan-2-ol

CAS Number	203633-12-9
PubChem CID	102602333
IUPAC Name	1,1,1-trideuterio-2-[(1S)-4-methylcyclohex-3-en-1-yl]propan-2-ol
Molecular Formula	C10H18O
Molecular Weight	157.27
XLogP	1.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	168

SMILES

[2H]C([2H])([2H])C(C)([C@H]1CCC(=CC1)C)O

InChI

InChI=1S/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3/t9-/m1/s1/i2D3/t9-,10?

InChIKey

WUOACPNHFRMFPN-DPIUJBPVSA-N

Chemical Structure

2D Structure

CAS: 203633-12-9

CID: 102602333

Formula: C10H18O

MW: 157.27

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	157.27
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	157.154595431
Monoisotopic Mass	157.154595431
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	168
Isotope Atom Count	3
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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CS-T-94577	Alpha-Terpineol-d3 (Propyl Methyl-d3)
HY-N7436S	Methyl propyl disulfide-d3
sc-483312	α-Methyl-α-[3- (methylnitrosoamino) propyl]-3-pyridinemethanol-d3
162384	8-Propyl Etodolac-d3
MBS6104564-01	5-Methyl-d3-5-propyl-2-dioxanone
419116	(+/-) -2-Propyl-4-pentenoic Acid Methyl Ester-d3
M3533-41	2-Methyl-d3-2-propyl-1,3-propanediol
020127	(trans) -4-Propyl-1-methyl-L-proline-d3
MBS6102305-01	(trans)-4-Propyl-1-methyl-L-proline-d3
448487-01	Estradiol-d3 3-Propyl Ether

Alpha-Terpineol-d3 (Propyl Methyl-d3)

Chemical Information

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