4,6,6-trimethylcyclohexen-1-ol

C9H16O — CID 66808686

IUPAC4,6,6-trimethylcyclohexen-1-ol
SMILESCC1CC=C(O)C(C)(C)C1
InChIInChI=1S/C9H16O/c1-7-4-5-8(10)9(2,3)6-7/h5,7,10H,4,6H2,1-3H3
InChIKeyLUBARJKFHVEUDW-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.88
Rot. Bonds

About 4,6,6-trimethylcyclohexen-1-ol

4,6,6-trimethylcyclohexen-1-ol (PubChem CID 66808686) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 4,6,6-trimethylcyclohexen-1-ol.

Molecular Properties

Compound Name4,6,6-trimethylcyclohexen-1-ol
PubChem CID66808686
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name4,6,6-trimethylcyclohexen-1-ol
SMILESCC1CC=C(O)C(C)(C)C1
InChIInChI=1S/C9H16O/c1-7-4-5-8(10)9(2,3)6-7/h5,7,10H,4,6H2,1-3H3
InChIKeyLUBARJKFHVEUDW-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 4,6,6-trimethylcyclohexen-1-ol?
The IUPAC name of 4,6,6-trimethylcyclohexen-1-ol (CID 66808686) is 4,6,6-trimethylcyclohexen-1-ol.
What is the SMILES notation for 4,6,6-trimethylcyclohexen-1-ol?
The canonical SMILES for 4,6,6-trimethylcyclohexen-1-ol is CC1CC=C(O)C(C)(C)C1.
What is the InChIKey of 4,6,6-trimethylcyclohexen-1-ol?
The InChIKey is LUBARJKFHVEUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-4-5-8(10)9(2,3)6-7/h5,7,10H,4,6H2,1-3H3.
What are the key properties of 4,6,6-trimethylcyclohexen-1-ol?
4,6,6-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 4,6,6-trimethylcyclohexen-1-ol is sourced from PubChem (CID 66808686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).