3,7-Dimethyloctane-1,7-diol

CAT: 0127-OR1039497-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1039497-01Size:100 mg

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CAS Number

107-74-4

MDL Number

MFCD00046005

Purity

97%

Smiles

CC(CCCC(C)(C)O)CCO

Chemical Information

3,7-Dimethyl-1,7-octanediol

Hydroxycitronellol is an aliphatic alcohol.

CAS Number	107-74-4
PubChem CID	249494
IUPAC Name	3,7-dimethyloctane-1,7-diol
Molecular Formula	C10H22O2
Molecular Weight	174.28
XLogP	1.9
Topological Polar Surface Area	40.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	12
Formal Charge	0
Complexity	110

SMILES

CC(CCCC(C)(C)O)CCO

InChI

InChI=1S/C10H22O2/c1-9(6-8-11)5-4-7-10(2,3)12/h9,11-12H,4-8H2,1-3H3

InChIKey

FPCCDPXRNNVUOM-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 107-74-4

CID: 249494

Formula: C10H22O2

MW: 174.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	174.28
XLogP3	1.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	174.161979940
Monoisotopic Mass	174.161979940
Topological Polar Surface Area	40.5 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	110
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes