2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol

C10H18O3 — CID 547921

IUPAC2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol
SMILESCC(C)(O)C1CC=C(CO)C(O)C1
InChIInChI=1S/C10H18O3/c1-10(2,13)8-4-3-7(6-11)9(12)5-8/h3,8-9,11-13H,4-6H2,1-2H3
InChIKeyOJFXOYMNWVFNRQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.45
Rot. Bonds2

About 2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol

2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol (PubChem CID 547921) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol
PubChem CID547921
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol
SMILESCC(C)(O)C1CC=C(CO)C(O)C1
InChIInChI=1S/C10H18O3/c1-10(2,13)8-4-3-7(6-11)9(12)5-8/h3,8-9,11-13H,4-6H2,1-2H3
InChIKeyOJFXOYMNWVFNRQ-UHFFFAOYSA-N
XLogP0.45
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-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 2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol?
The IUPAC name of 2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol (CID 547921) is 2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol is CC(C)(O)C1CC=C(CO)C(O)C1.
What is the InChIKey of 2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol?
The InChIKey is OJFXOYMNWVFNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c1-10(2,13)8-4-3-7(6-11)9(12)5-8/h3,8-9,11-13H,4-6H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol?
2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol has a molecular weight of 186.25 g/mol, XLogP of 0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 547921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).