3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol

C15H26O2 — CID 52951624

IUPAC3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol
SMILESCC(C)=CCCC(C)C1CC=C(C)C(O)C1O
InChIInChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-8-12(4)14(16)15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3
InChIKeySDAWXTDBEYZMMX-UHFFFAOYSA-N
MW238.37 g/mol
LogP3.06
Rot. Bonds4

About 3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol

3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol (PubChem CID 52951624) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is 3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol.

Molecular Properties

Compound Name3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol
PubChem CID52951624
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Name3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol
SMILESCC(C)=CCCC(C)C1CC=C(C)C(O)C1O
InChIInChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-8-12(4)14(16)15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3
InChIKeySDAWXTDBEYZMMX-UHFFFAOYSA-N
XLogP3.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-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 3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol?
The IUPAC name of 3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol (CID 52951624) is 3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol.
What is the SMILES notation for 3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol?
The canonical SMILES for 3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol is CC(C)=CCCC(C)C1CC=C(C)C(O)C1O.
What is the InChIKey of 3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol?
The InChIKey is SDAWXTDBEYZMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-10(2)6-5-7-11(3)13-9-8-12(4)14(16)15(13)17/h6,8,11,13-17H,5,7,9H2,1-4H3.
What are the key properties of 3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol?
3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol has a molecular weight of 238.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(6-methylhept-5-en-2-yl)cyclohex-3-ene-1,2-diol is sourced from PubChem (CID 52951624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).