(5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile

C18H29NO — CID 135009280

IUPAC(5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile
SMILESC=C(C)C(O)CCC(C)=CCC/C(C)=C/CCCC#N
InChIInChI=1S/C18H29NO/c1-15(2)18(20)13-12-17(4)11-8-10-16(3)9-6-5-7-14-19/h9,11,18,20H,1,5-8,10,12-13H2,2-4H3/b16-9+,17-11?
InChIKeyBFSGGWXFWAFXSN-GCLDPNIWSA-N
MW275.44 g/mol
LogP5.07
Rot. Bonds10

About (5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile

(5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile (PubChem CID 135009280) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile.

Molecular Properties

Compound Name(5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile
PubChem CID135009280
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile
SMILESC=C(C)C(O)CCC(C)=CCC/C(C)=C/CCCC#N
InChIInChI=1S/C18H29NO/c1-15(2)18(20)13-12-17(4)11-8-10-16(3)9-6-5-7-14-19/h9,11,18,20H,1,5-8,10,12-13H2,2-4H3/b16-9+,17-11?
InChIKeyBFSGGWXFWAFXSN-GCLDPNIWSA-N
XLogP5.07
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile 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 (5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile?
The IUPAC name of (5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile (CID 135009280) is (5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile.
What is the SMILES notation for (5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile?
The canonical SMILES for (5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile is C=C(C)C(O)CCC(C)=CCC/C(C)=C/CCCC#N.
What is the InChIKey of (5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile?
The InChIKey is BFSGGWXFWAFXSN-GCLDPNIWSA-N. The full InChI is InChI=1S/C18H29NO/c1-15(2)18(20)13-12-17(4)11-8-10-16(3)9-6-5-7-14-19/h9,11,18,20H,1,5-8,10,12-13H2,2-4H3/b16-9+,17-11?.
What are the key properties of (5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile?
(5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile has a molecular weight of 275.44 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-13-hydroxy-6,10,14-trimethylpentadeca-5,9,14-trienenitrile is sourced from PubChem (CID 135009280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).