(4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile

C12H19NO — CID 14805484

IUPAC(4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile
SMILESC=C(C)/C=C/[C@H](O)C[C@@H](C)CCC#N
InChIInChI=1S/C12H19NO/c1-10(2)6-7-12(14)9-11(3)5-4-8-13/h6-7,11-12,14H,1,4-5,9H2,2-3H3/b7-6+/t11-,12-/m0/s1
InChIKeySDEFWGZZBYUYTR-KZQRZKTQSA-N
MW193.29 g/mol
LogP2.81
Rot. Bonds6

About (4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile

(4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile (PubChem CID 14805484) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile.

Molecular Properties

Compound Name(4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile
PubChem CID14805484
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile
SMILESC=C(C)/C=C/[C@H](O)C[C@@H](C)CCC#N
InChIInChI=1S/C12H19NO/c1-10(2)6-7-12(14)9-11(3)5-4-8-13/h6-7,11-12,14H,1,4-5,9H2,2-3H3/b7-6+/t11-,12-/m0/s1
InChIKeySDEFWGZZBYUYTR-KZQRZKTQSA-N
XLogP2.81
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile 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

(2Rs,3rs)-2-hydroxy-3,7-dimethyl-6-octenenitrile
CID 21580119
2-Hydroxy-4,8-dimethylnon-7-enenitrile
CID 59050259
(2Z,4E)-8-hydroxy-5,9-dimethyl-2-propan-2-yldeca-2,4,9-trienenitrile
CID 10944361
(2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile
CID 11615335
(2Z)-2-[(E)-but-2-enylidene]-3-hydroxytridec-12-enenitrile
CID 11953423
(2E)-2-[(E)-but-2-enylidene]-3-hydroxytridec-12-enenitrile
CID 11953424
(1Z,3E)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile
CID 11953437
(1E,3Z)-13-hydroxycyclotrideca-1,3-diene-1-carbonitrile
CID 102254385
(1R,5S)-3-ethenyl-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ol
CID 131039437
2-[(5R)-5-[(1R,2E)-1-hydroxypenta-2,4-dienyl]-2,6,6-trimethylcyclohexen-1-yl]acetonitrile
CID 135046188
(2Z,4E,8E)-12-hydroxy-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,13-tetraenenitrile
CID 10266874
(4S,6R,7E)-4,9-dimethyldeca-7,9-diene-1,6-diol
CID 14805467

Frequently Asked Questions

What is the IUPAC name of (4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile?
The IUPAC name of (4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile (CID 14805484) is (4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile.
What is the SMILES notation for (4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile?
The canonical SMILES for (4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile is C=C(C)/C=C/[C@H](O)C[C@@H](C)CCC#N.
What is the InChIKey of (4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile?
The InChIKey is SDEFWGZZBYUYTR-KZQRZKTQSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)6-7-12(14)9-11(3)5-4-8-13/h6-7,11-12,14H,1,4-5,9H2,2-3H3/b7-6+/t11-,12-/m0/s1.
What are the key properties of (4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile?
(4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile has a molecular weight of 193.29 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R,7E)-6-hydroxy-4,9-dimethyldeca-7,9-dienenitrile is sourced from PubChem (CID 14805484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).