cis-(1R,2S)-4-ethenylcyclohexane-1,2-diol

C8H14O2 — CID 67508924

IUPACcis-(1R,2S)-4-ethenylcyclohexane-1,2-diol
SMILESC=CC1CC[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6?,7-,8+/m1/s1
InChIKeyBSJHRRSHDADBTA-VVXQKDJTSA-N
MW142.20 g/mol
LogP0.69
Rot. Bonds1

About cis-(1R,2S)-4-ethenylcyclohexane-1,2-diol

cis-(1R,2S)-4-ethenylcyclohexane-1,2-diol (PubChem CID 67508924) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is cis-(1R,2S)-4-ethenylcyclohexane-1,2-diol.

Molecular Properties

Compound Namecis-(1R,2S)-4-ethenylcyclohexane-1,2-diol
PubChem CID67508924
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namecis-(1R,2S)-4-ethenylcyclohexane-1,2-diol
SMILESC=CC1CC[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6?,7-,8+/m1/s1
InChIKeyBSJHRRSHDADBTA-VVXQKDJTSA-N
XLogP0.69
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-(1R,2S)-4-ethenylcyclohexane-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 cis-(1R,2S)-4-ethenylcyclohexane-1,2-diol?
The IUPAC name of cis-(1R,2S)-4-ethenylcyclohexane-1,2-diol (CID 67508924) is cis-(1R,2S)-4-ethenylcyclohexane-1,2-diol.
What is the SMILES notation for cis-(1R,2S)-4-ethenylcyclohexane-1,2-diol?
The canonical SMILES for cis-(1R,2S)-4-ethenylcyclohexane-1,2-diol is C=CC1CC[C@@H](O)[C@@H](O)C1.
What is the InChIKey of cis-(1R,2S)-4-ethenylcyclohexane-1,2-diol?
The InChIKey is BSJHRRSHDADBTA-VVXQKDJTSA-N. The full InChI is InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6?,7-,8+/m1/s1.
What are the key properties of cis-(1R,2S)-4-ethenylcyclohexane-1,2-diol?
cis-(1R,2S)-4-ethenylcyclohexane-1,2-diol has a molecular weight of 142.20 g/mol, XLogP of 0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-4-ethenylcyclohexane-1,2-diol is sourced from PubChem (CID 67508924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).