11,11-dimethyldodeca-7,9-dienenitrile

C14H23N — CID 142114722

IUPAC11,11-dimethyldodeca-7,9-dienenitrile
SMILESCC(C)(C)C=CC=CCCCCCC#N
InChIInChI=1S/C14H23N/c1-14(2,3)12-10-8-6-4-5-7-9-11-13-15/h6,8,10,12H,4-5,7,9,11H2,1-3H3
InChIKeyDVAXLFYUPHCKDO-UHFFFAOYSA-N
MW205.34 g/mol
LogP4.62
Rot. Bonds6

About 11,11-dimethyldodeca-7,9-dienenitrile

11,11-dimethyldodeca-7,9-dienenitrile (PubChem CID 142114722) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 11,11-dimethyldodeca-7,9-dienenitrile.

Molecular Properties

Compound Name11,11-dimethyldodeca-7,9-dienenitrile
PubChem CID142114722
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name11,11-dimethyldodeca-7,9-dienenitrile
SMILESCC(C)(C)C=CC=CCCCCCC#N
InChIInChI=1S/C14H23N/c1-14(2,3)12-10-8-6-4-5-7-9-11-13-15/h6,8,10,12H,4-5,7,9,11H2,1-3H3
InChIKeyDVAXLFYUPHCKDO-UHFFFAOYSA-N
XLogP4.62
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5E,7E)-tetradeca-5,7-dienenitrile
CID 11989535
(8E,10E)-12-oxododeca-8,10-dienenitrile
CID 87790760
(E)-tridec-11-enenitrile
CID 101282243
(E)-dodec-8-enenitrile
CID 101282237
octadec-6-enenitrile
CID 54098739
(E)-dec-7-enenitrile
CID 88850471
(5E,7E,9E)-tetradeca-5,7,9-trienenitrile
CID 101282545
octa-5,7-dienenitrile
CID 71403851
(7E,10E)-tetradeca-7,10,13-trienenitrile
CID 101282574
(Z)-12-[tert-butyl(dimethyl)silyl]oxydodec-8-enenitrile
CID 57331776
(4E,6E,11E)-trideca-4,6,11-trienenitrile
CID 101282428
(5E,10E)-trideca-5,10,12-trienenitrile
CID 101282449

Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyldodeca-7,9-dienenitrile?
The IUPAC name of 11,11-dimethyldodeca-7,9-dienenitrile (CID 142114722) is 11,11-dimethyldodeca-7,9-dienenitrile.
What is the SMILES notation for 11,11-dimethyldodeca-7,9-dienenitrile?
The canonical SMILES for 11,11-dimethyldodeca-7,9-dienenitrile is CC(C)(C)C=CC=CCCCCCC#N.
What is the InChIKey of 11,11-dimethyldodeca-7,9-dienenitrile?
The InChIKey is DVAXLFYUPHCKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-14(2,3)12-10-8-6-4-5-7-9-11-13-15/h6,8,10,12H,4-5,7,9,11H2,1-3H3.
What are the key properties of 11,11-dimethyldodeca-7,9-dienenitrile?
11,11-dimethyldodeca-7,9-dienenitrile has a molecular weight of 205.34 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyldodeca-7,9-dienenitrile is sourced from PubChem (CID 142114722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).