4,8-dimethyldeca-3,7-dienenitrile

C12H19N — CID 167623930

IUPAC4,8-dimethyldeca-3,7-dienenitrile
SMILESCCC(C)=CCCC(C)=CCC#N
InChIInChI=1S/C12H19N/c1-4-11(2)7-5-8-12(3)9-6-10-13/h7,9H,4-6,8H2,1-3H3
InChIKeyMVAWJJNDLIPHHB-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.98
Rot. Bonds5

About 4,8-dimethyldeca-3,7-dienenitrile

4,8-dimethyldeca-3,7-dienenitrile (PubChem CID 167623930) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 4,8-dimethyldeca-3,7-dienenitrile.

Molecular Properties

Compound Name4,8-dimethyldeca-3,7-dienenitrile
PubChem CID167623930
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name4,8-dimethyldeca-3,7-dienenitrile
SMILESCCC(C)=CCCC(C)=CCC#N
InChIInChI=1S/C12H19N/c1-4-11(2)7-5-8-12(3)9-6-10-13/h7,9H,4-6,8H2,1-3H3
InChIKeyMVAWJJNDLIPHHB-UHFFFAOYSA-N
XLogP3.98
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3E)-10-(3,3-dimethyloxiran-2-yl)-4,8-dimethyldeca-3,7-dienenitrile
CID 135009471
3,7,11-trimethyltrideca-2,6,10-triene
CID 54049885
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874
(6E,10E,14E,18E)-2,6,11,15,19-pentamethylhenicosa-2,6,10,14,18-pentaene
CID 91751137
(5E,9E)-6,10-dimethyldodeca-5,9-dien-2-one
CID 5363460
(5E,9E)-6,10-dimethyldodeca-5,9-dien-1-yne
CID 159745410
(3E,7E,11E)-3,7,11-trimethyltetradeca-3,7,11-triene;(6E,10E)-2,6,10-trimethyltrideca-2,6,10-triene
CID 160792784
18-methylicos-17-enenitrile
CID 54078352
2,6-dimethylocta-1,5-diene
CID 54025904
6,11-dimethyltrideca-2,6,10-triene
CID 139931040
(E)-7-methylnon-6-en-3-one
CID 22749805
(E)-5-methylhept-4-enoic acid
CID 83694352

Frequently Asked Questions

What is the IUPAC name of 4,8-dimethyldeca-3,7-dienenitrile?
The IUPAC name of 4,8-dimethyldeca-3,7-dienenitrile (CID 167623930) is 4,8-dimethyldeca-3,7-dienenitrile.
What is the SMILES notation for 4,8-dimethyldeca-3,7-dienenitrile?
The canonical SMILES for 4,8-dimethyldeca-3,7-dienenitrile is CCC(C)=CCCC(C)=CCC#N.
What is the InChIKey of 4,8-dimethyldeca-3,7-dienenitrile?
The InChIKey is MVAWJJNDLIPHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-4-11(2)7-5-8-12(3)9-6-10-13/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 4,8-dimethyldeca-3,7-dienenitrile?
4,8-dimethyldeca-3,7-dienenitrile has a molecular weight of 177.29 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dimethyldeca-3,7-dienenitrile is sourced from PubChem (CID 167623930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).