Trans-linalool oxide

CAT: 0926-JBA99577-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-JBA99577-01Size:10 mg

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CAS Number

34995-77-2

Smiles

CC1 (CCC (O1) C (C) (C) O) C=C

Molecular Formula

C10H18O2

Molecular Weight

170.25 g/mol

Controlled

Chemical Information

2-Furanmethanol, 5-ethenyltetrahydro-alpha,alpha,5-trimethyl-, (2R,5R)-rel-

Trans-furan linalool oxide is a member of oxolanes.

CAS Number	34995-77-2
PubChem CID	6431475
IUPAC Name	2-[(2R,5R)-5-ethenyl-5-methyloxolan-2-yl]propan-2-ol
Molecular Formula	C10H18O2
Molecular Weight	170.25
XLogP	1.4
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	186

SMILES

C[C@@]1(CC[C@@H](O1)C(C)(C)O)C=C

InChI

InChI=1S/C10H18O2/c1-5-10(4)7-6-8(12-10)9(2,3)11/h5,8,11H,1,6-7H2,2-4H3/t8-,10+/m1/s1

InChIKey

BRHDDEIRQPDPMG-SCZZXKLOSA-N

Chemical Structure

2D Structure

CAS: 34995-77-2

CID: 6431475

Formula: C10H18O2

MW: 170.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.25
XLogP3	1.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	170.130679813
Monoisotopic Mass	170.130679813
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	186
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FB181188-01	Trans-Bilastine N-oxide
AGA21493-01	Trans-haloperidol N-oxide
FL183752-01	Linalool glucoside
FG32735-01	Geranyl linalool
XL182730-01	L-Linalool glucoside
FL138844-01	Linalool - Natural grade
FL30206-01	Linalool - synthetic grade
FI157370-01	(+) -Limonene oxide, mixture of cis/trans isomers
FR27590-01	Rac- (cis/trans) Donepezil N-oxide
MAA13727-01	Rhodium oxide – mixture of oxides

Catalog	Name
467936-01	Trans-Linalool Oxide
AR-L07389-01	Linalool Oxide
TRC-L465980-5MG	Linalool Oxide cis/trans Mixture (Mixture of Diastereomers)
TRC-L465970-1MG	cis-Linalool Oxide
L03310-01	Linalool oxide 95%
HY-N9502R-01	Linalool oxide (Standard)
AR-L07390-01	Linalool Oxide Acetate
sc-255680	Trans-Stilbene oxide
TRC-L365875-500MG	(+)-trans-Limonene Oxide
CS-O-41038	Trans-Bilastine N-Oxide