1-(3,5-dimethylcyclohexyl)propane-1,2-diol

C11H22O2 — CID 103452734

IUPAC1-(3,5-dimethylcyclohexyl)propane-1,2-diol
SMILESCC1CC(C)CC(C(O)C(C)O)C1
InChIInChI=1S/C11H22O2/c1-7-4-8(2)6-10(5-7)11(13)9(3)12/h7-13H,4-6H2,1-3H3
InChIKeyJHFORSMJKBVESX-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.80
Rot. Bonds2

About 1-(3,5-dimethylcyclohexyl)propane-1,2-diol

1-(3,5-dimethylcyclohexyl)propane-1,2-diol (PubChem CID 103452734) has the molecular formula C11H22O2 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)propane-1,2-diol.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)propane-1,2-diol
PubChem CID103452734
Molecular FormulaC11H22O2
Molecular Weight186.30 g/mol
Exact Mass186.16
IUPAC Name1-(3,5-dimethylcyclohexyl)propane-1,2-diol
SMILESCC1CC(C)CC(C(O)C(C)O)C1
InChIInChI=1S/C11H22O2/c1-7-4-8(2)6-10(5-7)11(13)9(3)12/h7-13H,4-6H2,1-3H3
InChIKeyJHFORSMJKBVESX-UHFFFAOYSA-N
XLogP1.80
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,5-dimethylcyclohexyl)butan-2-ol
CID 79423302
1-(3,5-dimethylcyclohexyl)-2-methylbutan-1-ol
CID 64731273
4-(3,5-dimethylcyclohexyl)pentan-2-ol
CID 64730562
4-(3,5-dimethylcyclohexyl)pentan-2-one
CID 64729153
(3,5-dimethylcyclohexyl)-(3-methylcyclopentyl)methanol
CID 65402149
cis-(1S,3R)-1,3-dimethyl-5-propan-2-yloxycyclohexane
CID 130223743
1-(1-hydroperoxyethyl)-3-methylcyclobutane
CID 88563840
(3,5-dimethylcyclohexyl)-(2-methylcyclopentyl)methanol
CID 107192400
1-(3,5-dimethylcyclohexyl)butan-1-ol
CID 64729676
1-(3-methylcyclopentyl)ethanol
CID 12501270
1-(1-bromoethyl)-3-methylcyclobutane
CID 103565382
1-cycloheptylpropane-1,2-diol
CID 103452573

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)propane-1,2-diol?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)propane-1,2-diol (CID 103452734) is 1-(3,5-dimethylcyclohexyl)propane-1,2-diol.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)propane-1,2-diol?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)propane-1,2-diol is CC1CC(C)CC(C(O)C(C)O)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)propane-1,2-diol?
The InChIKey is JHFORSMJKBVESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-7-4-8(2)6-10(5-7)11(13)9(3)12/h7-13H,4-6H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)propane-1,2-diol?
1-(3,5-dimethylcyclohexyl)propane-1,2-diol has a molecular weight of 186.30 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)propane-1,2-diol is sourced from PubChem (CID 103452734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).