2-ethyl-2,5-dimethylhex-5-enenitrile

C10H17N — CID 130513627

IUPAC2-ethyl-2,5-dimethylhex-5-enenitrile
SMILESC=C(C)CCC(C)(C#N)CC
InChIInChI=1S/C10H17N/c1-5-10(4,8-11)7-6-9(2)3/h2,5-7H2,1,3-4H3
InChIKeyFKHTYQGNAWBOQK-UHFFFAOYSA-N
MW151.25 g/mol
LogP3.28
Rot. Bonds4

About 2-ethyl-2,5-dimethylhex-5-enenitrile

2-ethyl-2,5-dimethylhex-5-enenitrile (PubChem CID 130513627) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-ethyl-2,5-dimethylhex-5-enenitrile.

Molecular Properties

Compound Name2-ethyl-2,5-dimethylhex-5-enenitrile
PubChem CID130513627
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name2-ethyl-2,5-dimethylhex-5-enenitrile
SMILESC=C(C)CCC(C)(C#N)CC
InChIInChI=1S/C10H17N/c1-5-10(4,8-11)7-6-9(2)3/h2,5-7H2,1,3-4H3
InChIKeyFKHTYQGNAWBOQK-UHFFFAOYSA-N
XLogP3.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.28
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

ethane;2-ethyl-2-methylbutanenitrile
CID 162762947
2-ethyl-2-methylhexanenitrile
CID 57197936
(4-cyano-4-methylhexyl)boronic acid
CID 154170374
5,5-difluoro-2-methylhept-1-ene
CID 154971061
2,5-dimethylhex-5-en-2-amine
CID 130178475
2-ethyl-2-methylpent-4-ynenitrile
CID 130513645
2-methylbutan-2-ol;3-methylbut-3-en-1-ol
CID 87324008
2,5-dichloro-2,5-dimethylhexane;2,5-dimethylhexa-1,5-diene
CID 88686201
silyl 2,2,5-trimethylhex-5-enoate
CID 173274643
2,6-dimethyl-2-(3-methylbut-2-enyl)hept-5-enenitrile
CID 89309961
2,8-dimethyl-5-methylidenenona-1,8-diene
CID 91474850
2,2-dimethylpropane;2-methylbut-1-ene
CID 143831735

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,5-dimethylhex-5-enenitrile?
The IUPAC name of 2-ethyl-2,5-dimethylhex-5-enenitrile (CID 130513627) is 2-ethyl-2,5-dimethylhex-5-enenitrile.
What is the SMILES notation for 2-ethyl-2,5-dimethylhex-5-enenitrile?
The canonical SMILES for 2-ethyl-2,5-dimethylhex-5-enenitrile is C=C(C)CCC(C)(C#N)CC.
What is the InChIKey of 2-ethyl-2,5-dimethylhex-5-enenitrile?
The InChIKey is FKHTYQGNAWBOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-5-10(4,8-11)7-6-9(2)3/h2,5-7H2,1,3-4H3.
What are the key properties of 2-ethyl-2,5-dimethylhex-5-enenitrile?
2-ethyl-2,5-dimethylhex-5-enenitrile has a molecular weight of 151.25 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,5-dimethylhex-5-enenitrile is sourced from PubChem (CID 130513627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).