cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol

C10H16O2 — CID 130741612

IUPACcis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol
SMILESC=C(C)C1C[C@@H](O)C(=C)[C@@H](O)C1
InChIInChI=1S/C10H16O2/c1-6(2)8-4-9(11)7(3)10(12)5-8/h8-12H,1,3-5H2,2H3/t8?,9-,10+
InChIKeyNHJVCWGYXCFQJJ-PBINXNQUSA-N
MW168.24 g/mol
LogP1.25
Rot. Bonds1

About cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol

cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol (PubChem CID 130741612) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol.

Molecular Properties

Compound Namecis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol
PubChem CID130741612
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namecis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol
SMILESC=C(C)C1C[C@@H](O)C(=C)[C@@H](O)C1
InChIInChI=1S/C10H16O2/c1-6(2)8-4-9(11)7(3)10(12)5-8/h8-12H,1,3-5H2,2H3/t8?,9-,10+
InChIKeyNHJVCWGYXCFQJJ-PBINXNQUSA-N
XLogP1.25
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-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-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol?
The IUPAC name of cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol (CID 130741612) is cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol.
What is the SMILES notation for cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol?
The canonical SMILES for cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol is C=C(C)C1C[C@@H](O)C(=C)[C@@H](O)C1.
What is the InChIKey of cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol?
The InChIKey is NHJVCWGYXCFQJJ-PBINXNQUSA-N. The full InChI is InChI=1S/C10H16O2/c1-6(2)8-4-9(11)7(3)10(12)5-8/h8-12H,1,3-5H2,2H3/t8?,9-,10+.
What are the key properties of cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol?
cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol has a molecular weight of 168.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-2-methylidene-5-prop-1-en-2-ylcyclohexane-1,3-diol is sourced from PubChem (CID 130741612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).