(1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol

C10H16O3 — CID 71525172

IUPAC(1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol
SMILESC=C(CO)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H16O3/c1-6-3-4-8(7(2)5-11)10(13)9(6)12/h3,8-13H,2,4-5H2,1H3/t8-,9+,10+/m0/s1
InChIKeyIPQVGSANCWPIHK-IVZWLZJFSA-N
MW184.23 g/mol
LogP0.22
Rot. Bonds2

About (1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol

(1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol (PubChem CID 71525172) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name(1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol
PubChem CID71525172
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol
SMILESC=C(CO)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H16O3/c1-6-3-4-8(7(2)5-11)10(13)9(6)12/h3,8-13H,2,4-5H2,1H3/t8-,9+,10+/m0/s1
InChIKeyIPQVGSANCWPIHK-IVZWLZJFSA-N
XLogP0.22
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol 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 (1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol?
The IUPAC name of (1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol (CID 71525172) is (1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol.
What is the SMILES notation for (1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol?
The canonical SMILES for (1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol is C=C(CO)[C@@H]1CC=C(C)[C@@H](O)[C@@H]1O.
What is the InChIKey of (1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol?
The InChIKey is IPQVGSANCWPIHK-IVZWLZJFSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-3-4-8(7(2)5-11)10(13)9(6)12/h3,8-13H,2,4-5H2,1H3/t8-,9+,10+/m0/s1.
What are the key properties of (1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol?
(1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol has a molecular weight of 184.23 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,6S)-6-(3-hydroxyprop-1-en-2-yl)-3-methylcyclohex-3-ene-1,2-diol is sourced from PubChem (CID 71525172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).