(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol

C14H22O2 — CID 10900215

IUPAC(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
SMILESO[C@H]([C@@H](O)[C@H]1C=CCCC1)[C@H]1C=CCCC1
InChIInChI=1S/C14H22O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h3,5,7,9,11-16H,1-2,4,6,8,10H2/t11-,12-,13-,14-/m0/s1
InChIKeyAWLJIYSGNVIJRO-XUXIUFHCSA-N
MW222.33 g/mol
LogP2.42
Rot. Bonds3

About (1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol

(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol (PubChem CID 10900215) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
PubChem CID10900215
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol
SMILESO[C@H]([C@@H](O)[C@H]1C=CCCC1)[C@H]1C=CCCC1
InChIInChI=1S/C14H22O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h3,5,7,9,11-16H,1-2,4,6,8,10H2/t11-,12-,13-,14-/m0/s1
InChIKeyAWLJIYSGNVIJRO-XUXIUFHCSA-N
XLogP2.42
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-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 (1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol?
The IUPAC name of (1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol (CID 10900215) is (1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol.
What is the SMILES notation for (1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol?
The canonical SMILES for (1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol is O[C@H]([C@@H](O)[C@H]1C=CCCC1)[C@H]1C=CCCC1.
What is the InChIKey of (1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol?
The InChIKey is AWLJIYSGNVIJRO-XUXIUFHCSA-N. The full InChI is InChI=1S/C14H22O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h3,5,7,9,11-16H,1-2,4,6,8,10H2/t11-,12-,13-,14-/m0/s1.
What are the key properties of (1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol?
(1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol has a molecular weight of 222.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1,2-bis[(1R)-cyclohex-2-en-1-yl]ethane-1,2-diol is sourced from PubChem (CID 10900215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).