1,8-Cineol-d3

CAT: 0926-RYB82266-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-RYB82266-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1216822-66-0

Smiles

CC1 (C2CCC (O1) (CC2) C) C

Molecular Formula

C10H18O

Molecular Weight

157.27 g/mol

Controlled

Chemical Information

1,8-Cineol-d3

CAS Number	1216822-66-0
PubChem CID	46781028
IUPAC Name	4,6,6-trideuterio-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
Molecular Formula	C10H18O
Molecular Weight	157.27
XLogP	2.5
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	164

SMILES

[2H]C1(CC2(CCC1(OC2(C)C)C)[2H])[2H]

InChI

InChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3/i6D2,8D

InChIKey

WEEGYLXZBRQIMU-OJYSAGIRSA-N

Chemical Structure

2D Structure

CAS: 1216822-66-0

CID: 46781028

Formula: C10H18O

MW: 157.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	157.27
XLogP3	2.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	157.154595431
Monoisotopic Mass	157.154595431
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	164
Isotope Atom Count	3
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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