(2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile

C19H29NO — CID 10779674

IUPAC(2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile
SMILESC=C(C)CC/C=C(\C)CC/C=C(\C#N)CC/C=C(\C)CO
InChIInChI=1S/C19H29NO/c1-16(2)8-5-9-17(3)10-6-12-19(14-20)13-7-11-18(4)15-21/h9,11-12,21H,1,5-8,10,13,15H2,2-4H3/b17-9+,18-11+,19-12-
InChIKeyDCUCZLBPGPSTTC-NRHUANECSA-N
MW287.45 g/mol
LogP5.24
Rot. Bonds10

About (2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile

(2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile (PubChem CID 10779674) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is (2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile.

Molecular Properties

Compound Name(2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile
PubChem CID10779674
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name(2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile
SMILESC=C(C)CC/C=C(\C)CC/C=C(\C#N)CC/C=C(\C)CO
InChIInChI=1S/C19H29NO/c1-16(2)8-5-9-17(3)10-6-12-19(14-20)13-7-11-18(4)15-21/h9,11-12,21H,1,5-8,10,13,15H2,2-4H3/b17-9+,18-11+,19-12-
InChIKeyDCUCZLBPGPSTTC-NRHUANECSA-N
XLogP5.24
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.45
LogP ≤ 55.24
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'}

Analyze (2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile with MolForge

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Related Compounds

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2-[(E)-1-hydroxybut-2-enyl]-3-propylhex-2-enenitrile
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(2Z,4E,8E,12E)-14-hydroxy-5,9,13-trimethyl-2-propan-2-yltetradeca-2,4,8,12-tetraenenitrile
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(2Z)-2-(1-hydroxypropan-2-ylidene)decanenitrile
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(E)-3-hydroxy-2-methylidenehex-4-enenitrile
CID 10080399
(E)-2-(hydroxymethyl)oct-2-enenitrile
CID 10773165
(E)-2-(hydroxymethyl)pent-2-enenitrile
CID 10877073
(E)-2-(hydroxymethyl)hex-2-enenitrile
CID 10975485
(Z,2Z)-3-ethyl-2-ethylidene-5-hydroxyhex-3-enenitrile
CID 10975836
(Z)-2-ethyl-4-hydroxyhex-2-enenitrile
CID 12848402

Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile?
The IUPAC name of (2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile (CID 10779674) is (2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile.
What is the SMILES notation for (2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile?
The canonical SMILES for (2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile is C=C(C)CC/C=C(\C)CC/C=C(\C#N)CC/C=C(\C)CO.
What is the InChIKey of (2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile?
The InChIKey is DCUCZLBPGPSTTC-NRHUANECSA-N. The full InChI is InChI=1S/C19H29NO/c1-16(2)8-5-9-17(3)10-6-12-19(14-20)13-7-11-18(4)15-21/h9,11-12,21H,1,5-8,10,13,15H2,2-4H3/b17-9+,18-11+,19-12-.
What are the key properties of (2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile?
(2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile has a molecular weight of 287.45 g/mol, XLogP of 5.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-2-[(E)-5-hydroxy-4-methylpent-3-enyl]-6,10-dimethylundeca-2,6,10-trienenitrile is sourced from PubChem (CID 10779674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).