1,4-dimethylcyclohexane;methanol

C9H20O — CID 70358527

IUPAC1,4-dimethylcyclohexane;methanol
SMILESCC1CCC(C)CC1.CO
InChIInChI=1S/C8H16.CH4O/c1-7-3-5-8(2)6-4-7;1-2/h7-8H,3-6H2,1-2H3;2H,1H3
InChIKeyFIVPMCMJUUXANY-UHFFFAOYSA-N
MW144.26 g/mol
LogP2.44
Rot. Bonds

About 1,4-dimethylcyclohexane;methanol

1,4-dimethylcyclohexane;methanol (PubChem CID 70358527) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is 1,4-dimethylcyclohexane;methanol.

Molecular Properties

Compound Name1,4-dimethylcyclohexane;methanol
PubChem CID70358527
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name1,4-dimethylcyclohexane;methanol
SMILESCC1CCC(C)CC1.CO
InChIInChI=1S/C8H16.CH4O/c1-7-3-5-8(2)6-4-7;1-2/h7-8H,3-6H2,1-2H3;2H,1H3
InChIKeyFIVPMCMJUUXANY-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(1,4-dimethylcyclohexane);methane
CID 161326462
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311
tris(1,4-dimethylcyclohexane);methane;yttrium
CID 165073168
ethane;methanol;4-methylcyclohexan-1-amine
CID 142967747
4-methylcyclohexan-1-ol
CID 11524
ethane;methylcyclopropane
CID 158329065
tetrakis(1,4-dimethylcyclohexane);methane;molecular hydrogen
CID 160864488
tetrakis(1,4-dimethylcyclohexane);methane;hydrofluoride;hydroiodide
CID 160985954
ethane;methane;methylcyclopropane
CID 159551011
bis(1,4-dimethylcyclohexane);methane;propane
CID 159253657
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
1,2,3,4,7-pentamethylcyclononane
CID 123773414

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexane;methanol?
The IUPAC name of 1,4-dimethylcyclohexane;methanol (CID 70358527) is 1,4-dimethylcyclohexane;methanol.
What is the SMILES notation for 1,4-dimethylcyclohexane;methanol?
The canonical SMILES for 1,4-dimethylcyclohexane;methanol is CC1CCC(C)CC1.CO.
What is the InChIKey of 1,4-dimethylcyclohexane;methanol?
The InChIKey is FIVPMCMJUUXANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.CH4O/c1-7-3-5-8(2)6-4-7;1-2/h7-8H,3-6H2,1-2H3;2H,1H3.
What are the key properties of 1,4-dimethylcyclohexane;methanol?
1,4-dimethylcyclohexane;methanol has a molecular weight of 144.26 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexane;methanol is sourced from PubChem (CID 70358527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).