(2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile

C17H25NO — CID 138970578

IUPAC(2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile
SMILESCC[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C\C#N
InChIInChI=1S/C17H25NO/c1-6-17(19)16(5)12-15(4)14(3)9-7-8-13(2)10-11-18/h7-10,12,16-17,19H,6H2,1-5H3/b8-7+,13-10-,14-9+,15-12+/t16-,17+/m1/s1
InChIKeyZXACPTAFOXYYQE-YAZDPQCZSA-N
MW259.39 g/mol
LogP4.31
Rot. Bonds6

About (2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile

(2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile (PubChem CID 138970578) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile.

Molecular Properties

Compound Name(2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile
PubChem CID138970578
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile
SMILESCC[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C\C#N
InChIInChI=1S/C17H25NO/c1-6-17(19)16(5)12-15(4)14(3)9-7-8-13(2)10-11-18/h7-10,12,16-17,19H,6H2,1-5H3/b8-7+,13-10-,14-9+,15-12+/t16-,17+/m1/s1
InChIKeyZXACPTAFOXYYQE-YAZDPQCZSA-N
XLogP4.31
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z,5S,6S,7E,9Z)-6,8-dimethylundeca-2,7,9-trien-5-ol
CID 89173054
(2Z,4Z)-6-ethyl-2-(hydroxymethyl)-3-methyl-4-propan-2-ylocta-2,4,7-trienenitrile
CID 134332909
3-(1-Hydroxyethyl)cyclohexa-1,5-diene-1-carbonitrile
CID 143306056
4-Hydroxy-3,5-dimethylcyclohexa-1,5-diene-1-carbonitrile
CID 143328479
ethane;(2S,4E,6Z)-4-ethenyl-3-hydroxy-2-methylocta-4,6-dienenitrile
CID 143505726
2,7-Dimethylocta-5,7-dien-3-ol
CID 149794299
2,6-Dimethylocta-5,7-dien-3-ol
CID 172765035
(2E)-2-(1-hydroxy-2-methylpropyl)penta-2,4-dienenitrile
CID 12931957
(5E)-2,4,8-trimethylnona-5,7-dien-3-ol
CID 21721418
(3S,4R,5E)-2,4,7-trimethylnona-5,7-dien-3-ol
CID 59856238
2-[Cyclopenta-2,4-dien-1-yl(hydroxy)methyl]prop-2-enenitrile
CID 101450229
(2Z,4E,6E,8E,10S,11R)-11-hydroxy-3,7,8,10-tetramethyldodeca-2,4,6,8-tetraenenitrile
CID 102008263

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile?
The IUPAC name of (2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile (CID 138970578) is (2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile.
What is the SMILES notation for (2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile?
The canonical SMILES for (2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile is CC[C@H](O)[C@H](C)/C=C(C)/C(C)=C/C=C/C(C)=C\C#N.
What is the InChIKey of (2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile?
The InChIKey is ZXACPTAFOXYYQE-YAZDPQCZSA-N. The full InChI is InChI=1S/C17H25NO/c1-6-17(19)16(5)12-15(4)14(3)9-7-8-13(2)10-11-18/h7-10,12,16-17,19H,6H2,1-5H3/b8-7+,13-10-,14-9+,15-12+/t16-,17+/m1/s1.
What are the key properties of (2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile?
(2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile has a molecular weight of 259.39 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E,8E,10R,11S)-11-hydroxy-3,7,8,10-tetramethyltrideca-2,4,6,8-tetraenenitrile is sourced from PubChem (CID 138970578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).