(4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile

C13H19N — CID 165348510

IUPAC(4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile
SMILESC=C/C(C)=C/CC/C(C)=C\CCC#N
InChIInChI=1S/C13H19N/c1-4-12(2)9-7-10-13(3)8-5-6-11-14/h4,8-9H,1,5-7,10H2,2-3H3/b12-9+,13-8-
InChIKeyDGNJSHMWQYXXNC-OYQWPQAFSA-N
MW189.30 g/mol
LogP4.15
Rot. Bonds6

About (4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile

(4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile (PubChem CID 165348510) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile.

Molecular Properties

Compound Name(4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile
PubChem CID165348510
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile
SMILESC=C/C(C)=C/CC/C(C)=C\CCC#N
InChIInChI=1S/C13H19N/c1-4-12(2)9-7-10-13(3)8-5-6-11-14/h4,8-9H,1,5-7,10H2,2-3H3/b12-9+,13-8-
InChIKeyDGNJSHMWQYXXNC-OYQWPQAFSA-N
XLogP4.15
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylocta-1,5,7-trien-1-ol
CID 176884331
(4E,8E)-11-[(2S)-3,3-dimethyloxiran-2-yl]-5,9-dimethylundeca-4,8-dienenitrile
CID 155935115
(2Z,6E,9E)-2,6,10-trimethyldodeca-2,6,9,11-tetraenal
CID 118976608
4,8-dimethyldeca-3,7-dienenitrile
CID 167623930
(6E)-7,11-dimethyl-3-methylidenedodeca-1,6,10-triene;methane;(3E,6E)-3,7,11-trimethyldodeca-1,3,6,10-tetraene
CID 158402923
(3E,6E,10E)-7-ethyl-3,11-dimethyltrideca-1,3,6,10-tetraene
CID 22236783
(3E,11Z)-3,12-dimethyltetradeca-1,3,11,13-tetraene
CID 142629908
7,11-dimethyl-3-methylidenedodeca-1,6,10-triene
CID 158652324
(5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne
CID 159745410
(3E)-3,7-dimethylocta-3,7-dienenitrile
CID 6441547
(2E)-3,7-dimethyl-1-[(1E)-2-methylbuta-1,3-dienyl]sulfonylocta-2,6-diene
CID 12572219
18-methylicos-17-enenitrile
CID 54078352

Frequently Asked Questions

What is the IUPAC name of (4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile?
The IUPAC name of (4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile (CID 165348510) is (4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile.
What is the SMILES notation for (4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile?
The canonical SMILES for (4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile is C=C/C(C)=C/CC/C(C)=C\CCC#N.
What is the InChIKey of (4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile?
The InChIKey is DGNJSHMWQYXXNC-OYQWPQAFSA-N. The full InChI is InChI=1S/C13H19N/c1-4-12(2)9-7-10-13(3)8-5-6-11-14/h4,8-9H,1,5-7,10H2,2-3H3/b12-9+,13-8-.
What are the key properties of (4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile?
(4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile has a molecular weight of 189.30 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,8E)-5,9-dimethylundeca-4,8,10-trienenitrile is sourced from PubChem (CID 165348510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).