2,3,3-trimethylcyclohexen-1-ol

C9H16O — CID 21259657

IUPAC2,3,3-trimethylcyclohexen-1-ol
SMILESCC1=C(O)CCCC1(C)C
InChIInChI=1S/C9H16O/c1-7-8(10)5-4-6-9(7,2)3/h10H,4-6H2,1-3H3
InChIKeyDMTBJSZFNYDENF-UHFFFAOYSA-N
MW140.23 g/mol
LogP3.03
Rot. Bonds

About 2,3,3-trimethylcyclohexen-1-ol

2,3,3-trimethylcyclohexen-1-ol (PubChem CID 21259657) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 2,3,3-trimethylcyclohexen-1-ol.

Molecular Properties

Compound Name2,3,3-trimethylcyclohexen-1-ol
PubChem CID21259657
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name2,3,3-trimethylcyclohexen-1-ol
SMILESCC1=C(O)CCCC1(C)C
InChIInChI=1S/C9H16O/c1-7-8(10)5-4-6-9(7,2)3/h10H,4-6H2,1-3H3
InChIKeyDMTBJSZFNYDENF-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethylcyclohexen-1-ol?
The IUPAC name of 2,3,3-trimethylcyclohexen-1-ol (CID 21259657) is 2,3,3-trimethylcyclohexen-1-ol.
What is the SMILES notation for 2,3,3-trimethylcyclohexen-1-ol?
The canonical SMILES for 2,3,3-trimethylcyclohexen-1-ol is CC1=C(O)CCCC1(C)C.
What is the InChIKey of 2,3,3-trimethylcyclohexen-1-ol?
The InChIKey is DMTBJSZFNYDENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-7-8(10)5-4-6-9(7,2)3/h10H,4-6H2,1-3H3.
What are the key properties of 2,3,3-trimethylcyclohexen-1-ol?
2,3,3-trimethylcyclohexen-1-ol has a molecular weight of 140.23 g/mol, XLogP of 3.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethylcyclohexen-1-ol is sourced from PubChem (CID 21259657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).