3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol

C15H24O2 — CID 70590161

IUPAC3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol
SMILESC=CC(O)C=C(C)C1=C(C)C(O)CCC1(C)C
InChIInChI=1S/C15H24O2/c1-6-12(16)9-10(2)14-11(3)13(17)7-8-15(14,4)5/h6,9,12-13,16-17H,1,7-8H2,2-5H3
InChIKeyHHDFCSOJTZJNEN-UHFFFAOYSA-N
MW236.35 g/mol
LogP2.98
Rot. Bonds3

About 3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol

3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol (PubChem CID 70590161) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol
PubChem CID70590161
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol
SMILESC=CC(O)C=C(C)C1=C(C)C(O)CCC1(C)C
InChIInChI=1S/C15H24O2/c1-6-12(16)9-10(2)14-11(3)13(17)7-8-15(14,4)5/h6,9,12-13,16-17H,1,7-8H2,2-5H3
InChIKeyHHDFCSOJTZJNEN-UHFFFAOYSA-N
XLogP2.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol?
The IUPAC name of 3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol (CID 70590161) is 3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol?
The canonical SMILES for 3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol is C=CC(O)C=C(C)C1=C(C)C(O)CCC1(C)C.
What is the InChIKey of 3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol?
The InChIKey is HHDFCSOJTZJNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-6-12(16)9-10(2)14-11(3)13(17)7-8-15(14,4)5/h6,9,12-13,16-17H,1,7-8H2,2-5H3.
What are the key properties of 3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol?
3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol has a molecular weight of 236.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyhexa-2,5-dien-2-yl)-2,4,4-trimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 70590161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).