4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol

C11H20O2 — CID 71407207

IUPAC4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol
SMILESCC1=C(CCO)C(C)(C)CC(O)C1
InChIInChI=1S/C11H20O2/c1-8-6-9(13)7-11(2,3)10(8)4-5-12/h9,12-13H,4-7H2,1-3H3
InChIKeyIVKNQEUNEKZPBL-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.87
Rot. Bonds2

About 4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol

4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol (PubChem CID 71407207) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol
PubChem CID71407207
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol
SMILESCC1=C(CCO)C(C)(C)CC(O)C1
InChIInChI=1S/C11H20O2/c1-8-6-9(13)7-11(2,3)10(8)4-5-12/h9,12-13H,4-7H2,1-3H3
InChIKeyIVKNQEUNEKZPBL-UHFFFAOYSA-N
XLogP1.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-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 4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol?
The IUPAC name of 4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol (CID 71407207) is 4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol.
What is the SMILES notation for 4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol?
The canonical SMILES for 4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol is CC1=C(CCO)C(C)(C)CC(O)C1.
What is the InChIKey of 4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol?
The InChIKey is IVKNQEUNEKZPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8-6-9(13)7-11(2,3)10(8)4-5-12/h9,12-13H,4-7H2,1-3H3.
What are the key properties of 4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol?
4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-3,5,5-trimethylcyclohex-3-en-1-ol is sourced from PubChem (CID 71407207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).