(1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol

C9H16O2 — CID 134966934

IUPAC(1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol
SMILESC[C@@H](O)[C@H](O)C1=CCCCC1
InChIInChI=1S/C9H16O2/c1-7(10)9(11)8-5-3-2-4-6-8/h5,7,9-11H,2-4,6H2,1H3/t7-,9+/m1/s1
InChIKeyUSJGYQIDSLEENU-APPZFPTMSA-N
MW156.22 g/mol
LogP1.23
Rot. Bonds2

About (1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol

(1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol (PubChem CID 134966934) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name(1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol
PubChem CID134966934
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol
SMILESC[C@@H](O)[C@H](O)C1=CCCCC1
InChIInChI=1S/C9H16O2/c1-7(10)9(11)8-5-3-2-4-6-8/h5,7,9-11H,2-4,6H2,1H3/t7-,9+/m1/s1
InChIKeyUSJGYQIDSLEENU-APPZFPTMSA-N
XLogP1.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2R)-1-(cyclohexen-1-yl)propane-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)-1-(cyclohexen-1-yl)propane-1,2-diol?
The IUPAC name of (1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol (CID 134966934) is (1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol.
What is the SMILES notation for (1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol?
The canonical SMILES for (1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol is C[C@@H](O)[C@H](O)C1=CCCCC1.
What is the InChIKey of (1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol?
The InChIKey is USJGYQIDSLEENU-APPZFPTMSA-N. The full InChI is InChI=1S/C9H16O2/c1-7(10)9(11)8-5-3-2-4-6-8/h5,7,9-11H,2-4,6H2,1H3/t7-,9+/m1/s1.
What are the key properties of (1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol?
(1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol has a molecular weight of 156.22 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-(cyclohexen-1-yl)propane-1,2-diol is sourced from PubChem (CID 134966934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).