4-methylnona-1,8-diene-4,6-diol

C10H18O2 — CID 57042119

IUPAC4-methylnona-1,8-diene-4,6-diol
SMILESC=CCC(O)CC(C)(O)CC=C
InChIInChI=1S/C10H18O2/c1-4-6-9(11)8-10(3,12)7-5-2/h4-5,9,11-12H,1-2,6-8H2,3H3
InChIKeyPERWZIMDUOKQRC-UHFFFAOYSA-N
MW170.25 g/mol
LogP1.64
Rot. Bonds6

About 4-methylnona-1,8-diene-4,6-diol

4-methylnona-1,8-diene-4,6-diol (PubChem CID 57042119) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-methylnona-1,8-diene-4,6-diol.

Molecular Properties

Compound Name4-methylnona-1,8-diene-4,6-diol
PubChem CID57042119
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-methylnona-1,8-diene-4,6-diol
SMILESC=CCC(O)CC(C)(O)CC=C
InChIInChI=1S/C10H18O2/c1-4-6-9(11)8-10(3,12)7-5-2/h4-5,9,11-12H,1-2,6-8H2,3H3
InChIKeyPERWZIMDUOKQRC-UHFFFAOYSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methylnona-1,8-diene-4,6-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 4-methylnona-1,8-diene-4,6-diol?
The IUPAC name of 4-methylnona-1,8-diene-4,6-diol (CID 57042119) is 4-methylnona-1,8-diene-4,6-diol.
What is the SMILES notation for 4-methylnona-1,8-diene-4,6-diol?
The canonical SMILES for 4-methylnona-1,8-diene-4,6-diol is C=CCC(O)CC(C)(O)CC=C.
What is the InChIKey of 4-methylnona-1,8-diene-4,6-diol?
The InChIKey is PERWZIMDUOKQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-4-6-9(11)8-10(3,12)7-5-2/h4-5,9,11-12H,1-2,6-8H2,3H3.
What are the key properties of 4-methylnona-1,8-diene-4,6-diol?
4-methylnona-1,8-diene-4,6-diol has a molecular weight of 170.25 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylnona-1,8-diene-4,6-diol is sourced from PubChem (CID 57042119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).