(2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile

C15H21N — CID 142155560

IUPAC(2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile
SMILESC=C/C(=C\C=C/C)CCCC/C(C)=C\C#N
InChIInChI=1S/C15H21N/c1-4-6-10-15(5-2)11-8-7-9-14(3)12-13-16/h4-6,10,12H,2,7-9,11H2,1,3H3/b6-4-,14-12-,15-10+
InChIKeyLSVLZSPIPZUDSY-GLHWVVDMSA-N
MW215.34 g/mol
LogP4.71
Rot. Bonds7

About (2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile

(2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile (PubChem CID 142155560) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile.

Molecular Properties

Compound Name(2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile
PubChem CID142155560
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile
SMILESC=C/C(=C\C=C/C)CCCC/C(C)=C\C#N
InChIInChI=1S/C15H21N/c1-4-6-10-15(5-2)11-8-7-9-14(3)12-13-16/h4-6,10,12H,2,7-9,11H2,1,3H3/b6-4-,14-12-,15-10+
InChIKeyLSVLZSPIPZUDSY-GLHWVVDMSA-N
XLogP4.71
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
CID 88579233
cyclohexane;(8Z,10Z)-8-ethenyl-3-ethyldodeca-8,10-dien-2-one
CID 142864253
(7E,9Z)-2,7-dimethylundeca-1,7,9-triene
CID 142166424
(Z)-3-methyl-6-oxohept-2-enenitrile
CID 45085492
(6Z,8Z)-6-ethenyl-N-methyl-3-propan-2-ylidenedeca-6,8-dien-2-imine
CID 142134372
ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
(2E,4E)-5-methyldeca-2,4-diene
CID 14899750
7-hydroxy-3,7-dimethyloct-2-enenitrile
CID 88756836
2-aminoacetic acid;ethane;(2Z,4Z)-5-ethenylocta-2,4-diene;methanol
CID 144536023
N-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]prop-2-enamide
CID 145160973
[(2E,4Z)-2-ethenylhexa-2,4-dienyl] thiohypochlorite
CID 153339188
(2E,4E)-5-methyldodeca-2,4-diene
CID 143978306

Frequently Asked Questions

What is the IUPAC name of (2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile?
The IUPAC name of (2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile (CID 142155560) is (2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile.
What is the SMILES notation for (2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile?
The canonical SMILES for (2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile is C=C/C(=C\C=C/C)CCCC/C(C)=C\C#N.
What is the InChIKey of (2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile?
The InChIKey is LSVLZSPIPZUDSY-GLHWVVDMSA-N. The full InChI is InChI=1S/C15H21N/c1-4-6-10-15(5-2)11-8-7-9-14(3)12-13-16/h4-6,10,12H,2,7-9,11H2,1,3H3/b6-4-,14-12-,15-10+.
What are the key properties of (2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile?
(2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile has a molecular weight of 215.34 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,8Z,10Z)-8-ethenyl-3-methyldodeca-2,8,10-trienenitrile is sourced from PubChem (CID 142155560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).