2,4-Dimethylnonan-4-ol

CAT: 0926-ZCA35631-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-ZCA35631-01Size:50 mg

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CAS Number

74356-31-3

MDL Number

MFCD00021846

Smiles

CCCCCC (C) (CC (C) C) O

Molecular Formula

C11H24O

Molecular Weight

172.31 g/mol

Controlled

Chemical Information

2,4-Dimethyl-4-nonanol

2,4-Dimethyl-4-nonanol is a tertiary alcohol.

CAS Number	74356-31-3
PubChem CID	3018500
IUPAC Name	2,4-dimethylnonan-4-ol
Molecular Formula	C11H24O
Molecular Weight	172.31
XLogP	3.8
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Heavy Atom Count	12
Formal Charge	0
Complexity	110

SMILES

CCCCCC(C)(CC(C)C)O

InChI

InChI=1S/C11H24O/c1-5-6-7-8-11(4,12)9-10(2)3/h10,12H,5-9H2,1-4H3

InChIKey

ZCYIZHWZWCLYQE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 74356-31-3

CID: 3018500

Formula: C11H24O

MW: 172.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.31
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	172.182715385
Monoisotopic Mass	172.182715385
Topological Polar Surface Area	20.2 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

Catalog	Name
sc-258543	4,4,4-Trifluorobutan-2-ol
TRC-D455945-10MG	4,4-Dimethylpentan-2-ol
OR924280	4,4-Dimethoxybutan-2-ol
TRC-D447370-1G	2',4'-Difluorobiphenyl-4-ol
PC1005021-01	4- (2,4-Difluorophenyl) piperidin-4-ol
OR22873	2,4-Dimethyl-4-phenylpentan-2-ol
OR60039	4,4-Dimethoxy-2-methylbutan-2-ol
421252-01	2',4'-Difluorobiphenyl-4-ol-d4
TRC-P285010-100MG	4-Pentyn-2-ol 4-Methylbenzenesulfonate
sc-314095	4- (2-Methoxyphenyl) piperidin-4-ol