(2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile

C12H19NO — CID 11615335

IUPAC(2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile
SMILESCC(C)=CCC[C@@H](C)C(O)/C=C/C#N
InChIInChI=1S/C12H19NO/c1-10(2)6-4-7-11(3)12(14)8-5-9-13/h5-6,8,11-12,14H,4,7H2,1-3H3/b8-5+/t11-,12?/m1/s1
InChIKeyLZXCNUBCJOWDAV-JNGSMBTOSA-N
MW193.29 g/mol
LogP2.81
Rot. Bonds5

About (2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile

(2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile (PubChem CID 11615335) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile.

Molecular Properties

Compound Name(2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile
PubChem CID11615335
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile
SMILESCC(C)=CCC[C@@H](C)C(O)/C=C/C#N
InChIInChI=1S/C12H19NO/c1-10(2)6-4-7-11(3)12(14)8-5-9-13/h5-6,8,11-12,14H,4,7H2,1-3H3/b8-5+/t11-,12?/m1/s1
InChIKeyLZXCNUBCJOWDAV-JNGSMBTOSA-N
XLogP2.81
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile?
The IUPAC name of (2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile (CID 11615335) is (2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile.
What is the SMILES notation for (2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile?
The canonical SMILES for (2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile is CC(C)=CCC[C@@H](C)C(O)/C=C/C#N.
What is the InChIKey of (2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile?
The InChIKey is LZXCNUBCJOWDAV-JNGSMBTOSA-N. The full InChI is InChI=1S/C12H19NO/c1-10(2)6-4-7-11(3)12(14)8-5-9-13/h5-6,8,11-12,14H,4,7H2,1-3H3/b8-5+/t11-,12?/m1/s1.
What are the key properties of (2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile?
(2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile has a molecular weight of 193.29 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5R)-4-hydroxy-5,9-dimethyldeca-2,8-dienenitrile is sourced from PubChem (CID 11615335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).