4,6-dimethyloctanenitrile

C10H19N — CID 142940400

IUPAC4,6-dimethyloctanenitrile
SMILESCCC(C)CC(C)CCC#N
InChIInChI=1S/C10H19N/c1-4-9(2)8-10(3)6-5-7-11/h9-10H,4-6,8H2,1-3H3
InChIKeyBYFJJKOEFOJLCC-UHFFFAOYSA-N
MW153.27 g/mol
LogP3.36
Rot. Bonds5

About 4,6-dimethyloctanenitrile

4,6-dimethyloctanenitrile (PubChem CID 142940400) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4,6-dimethyloctanenitrile.

Molecular Properties

Compound Name4,6-dimethyloctanenitrile
PubChem CID142940400
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4,6-dimethyloctanenitrile
SMILESCCC(C)CC(C)CCC#N
InChIInChI=1S/C10H19N/c1-4-9(2)8-10(3)6-5-7-11/h9-10H,4-6,8H2,1-3H3
InChIKeyBYFJJKOEFOJLCC-UHFFFAOYSA-N
XLogP3.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,6-dimethylheptanenitrile
CID 12673955
4-methylheptanedinitrile
CID 12673956
3,5,7,10,12-pentamethyltetradecane
CID 59582352
21,27-dimethylnonacosanenitrile
CID 527379
3,5-dimethylheptane;ethane
CID 172617343
2-cyanoethyl(triethyl)phosphanium
CID 4524375
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
2,4,7,9-tetramethylundecane
CID 91346710
3,5,7,9-tetramethyldodecane
CID 91047062
(3S,5R)-3,5-dimethylheptan-1-ol
CID 99134990
(2S,4S,6S)-2,4,6,8-tetramethylundecanenitrile
CID 135772574
5-[difluoro(methyl)silyl]-4-methylpentanenitrile
CID 140812571

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyloctanenitrile?
The IUPAC name of 4,6-dimethyloctanenitrile (CID 142940400) is 4,6-dimethyloctanenitrile.
What is the SMILES notation for 4,6-dimethyloctanenitrile?
The canonical SMILES for 4,6-dimethyloctanenitrile is CCC(C)CC(C)CCC#N.
What is the InChIKey of 4,6-dimethyloctanenitrile?
The InChIKey is BYFJJKOEFOJLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-4-9(2)8-10(3)6-5-7-11/h9-10H,4-6,8H2,1-3H3.
What are the key properties of 4,6-dimethyloctanenitrile?
4,6-dimethyloctanenitrile has a molecular weight of 153.27 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyloctanenitrile is sourced from PubChem (CID 142940400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).