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3,5-Dimethylcyclohexanol

CAT: 0024-sc-232135Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0024-sc-232135Size:100 mL
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CAS Number
5441-52-1

Chemical Information

3,5-Dimethylcyclohexan-1-ol

3,5-Dimethylcyclohexanol is a member of cyclohexanols.

CAS Number5441-52-1
PubChem CID21584
IUPAC Name3,5-dimethylcyclohexan-1-ol
Molecular FormulaC8H16O
Molecular Weight128.21
XLogP2.2
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity80
SMILES
CC1CC(CC(C1)O)C
InChI
InChI=1S/C8H16O/c1-6-3-7(2)5-8(9)4-6/h6-9H,3-5H2,1-2H3
InChIKey
WIYNOPYNRFPWNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Dimethylcyclohexan-1-ol
CAS: 5441-52-1
CID: 21584
Formula: C8H16O
MW: 128.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.21
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass128.120115130
Monoisotopic Mass128.120115130
Topological Polar Surface Area20.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity80.6
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
427485-013,5-Dimethylcyclohexanol
TRC-D465030-1Gcis,cis-3,5-Dimethylcyclohexanol
HY-W1603582,5-Dimethylcyclohexanol
444783-01Cis, cis-3,5-Dimethylcyclohexanol
HY-W559929-013,3-Dimethylcyclohexanol
OR922265-012,3-Dimethylcyclohexanol
OR925006-013,4-Dimethylcyclohexanol
D39100-013,4-Dimethylcyclohexanol 97%
DAA809322,5-Dimethylcyclohexanol (mixture of isomers)
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