3-(3,3-dimethylcyclohexyl)propan-1-ol

C11H22O — CID 57064260

IUPAC3-(3,3-dimethylcyclohexyl)propan-1-ol
SMILESCC1(C)CCCC(CCCO)C1
InChIInChI=1S/C11H22O/c1-11(2)7-3-5-10(9-11)6-4-8-12/h10,12H,3-9H2,1-2H3
InChIKeyPWJTUKQWQHPMJU-UHFFFAOYSA-N
MW170.30 g/mol
LogP2.98
Rot. Bonds3

About 3-(3,3-dimethylcyclohexyl)propan-1-ol

3-(3,3-dimethylcyclohexyl)propan-1-ol (PubChem CID 57064260) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is 3-(3,3-dimethylcyclohexyl)propan-1-ol.

Molecular Properties

Compound Name3-(3,3-dimethylcyclohexyl)propan-1-ol
PubChem CID57064260
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name3-(3,3-dimethylcyclohexyl)propan-1-ol
SMILESCC1(C)CCCC(CCCO)C1
InChIInChI=1S/C11H22O/c1-11(2)7-3-5-10(9-11)6-4-8-12/h10,12H,3-9H2,1-2H3
InChIKeyPWJTUKQWQHPMJU-UHFFFAOYSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylcyclohexyl)propan-1-ol?
The IUPAC name of 3-(3,3-dimethylcyclohexyl)propan-1-ol (CID 57064260) is 3-(3,3-dimethylcyclohexyl)propan-1-ol.
What is the SMILES notation for 3-(3,3-dimethylcyclohexyl)propan-1-ol?
The canonical SMILES for 3-(3,3-dimethylcyclohexyl)propan-1-ol is CC1(C)CCCC(CCCO)C1.
What is the InChIKey of 3-(3,3-dimethylcyclohexyl)propan-1-ol?
The InChIKey is PWJTUKQWQHPMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O/c1-11(2)7-3-5-10(9-11)6-4-8-12/h10,12H,3-9H2,1-2H3.
What are the key properties of 3-(3,3-dimethylcyclohexyl)propan-1-ol?
3-(3,3-dimethylcyclohexyl)propan-1-ol has a molecular weight of 170.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylcyclohexyl)propan-1-ol is sourced from PubChem (CID 57064260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).