(6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol

C13H24O — CID 14473563

IUPAC(6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol
SMILESC=C(C)/C=C/C(CCC(C)O)C(C)C
InChIInChI=1S/C13H24O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11-14H,1,7,9H2,2-5H3/b8-6+
InChIKeyKXCPAUWIRBMTET-SOFGYWHQSA-N
MW196.33 g/mol
LogP3.55
Rot. Bonds6

About (6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol

(6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol (PubChem CID 14473563) has the molecular formula C13H24O and a molecular weight of 196.33 g/mol. Its IUPAC name is (6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol.

Molecular Properties

Compound Name(6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol
PubChem CID14473563
Molecular FormulaC13H24O
Molecular Weight196.33 g/mol
Exact Mass196.18
IUPAC Name(6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol
SMILESC=C(C)/C=C/C(CCC(C)O)C(C)C
InChIInChI=1S/C13H24O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11-14H,1,7,9H2,2-5H3/b8-6+
InChIKeyKXCPAUWIRBMTET-SOFGYWHQSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.33
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol 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 (6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol?
The IUPAC name of (6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol (CID 14473563) is (6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol.
What is the SMILES notation for (6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol?
The canonical SMILES for (6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol is C=C(C)/C=C/C(CCC(C)O)C(C)C.
What is the InChIKey of (6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol?
The InChIKey is KXCPAUWIRBMTET-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H24O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11-14H,1,7,9H2,2-5H3/b8-6+.
What are the key properties of (6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol?
(6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol has a molecular weight of 196.33 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-ol is sourced from PubChem (CID 14473563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).