3,3,5-trimethylcyclohexen-1-ol

C9H16O — CID 71330706

IUPAC3,3,5-trimethylcyclohexen-1-ol
SMILESCC1CC(O)=CC(C)(C)C1
InChIInChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h6-7,10H,4-5H2,1-3H3
InChIKeyXPJVTVMXXJORRX-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.88
Rot. Bonds

About 3,3,5-trimethylcyclohexen-1-ol

3,3,5-trimethylcyclohexen-1-ol (PubChem CID 71330706) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3,3,5-trimethylcyclohexen-1-ol.

Molecular Properties

Compound Name3,3,5-trimethylcyclohexen-1-ol
PubChem CID71330706
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3,3,5-trimethylcyclohexen-1-ol
SMILESCC1CC(O)=CC(C)(C)C1
InChIInChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h6-7,10H,4-5H2,1-3H3
InChIKeyXPJVTVMXXJORRX-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethylcyclohexen-1-ol?
The IUPAC name of 3,3,5-trimethylcyclohexen-1-ol (CID 71330706) is 3,3,5-trimethylcyclohexen-1-ol.
What is the SMILES notation for 3,3,5-trimethylcyclohexen-1-ol?
The canonical SMILES for 3,3,5-trimethylcyclohexen-1-ol is CC1CC(O)=CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethylcyclohexen-1-ol?
The InChIKey is XPJVTVMXXJORRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-4-8(10)6-9(2,3)5-7/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 3,3,5-trimethylcyclohexen-1-ol?
3,3,5-trimethylcyclohexen-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethylcyclohexen-1-ol is sourced from PubChem (CID 71330706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).