2,2,3,3,4-pentamethylhex-4-enenitrile

C11H19N — CID 87497102

IUPAC2,2,3,3,4-pentamethylhex-4-enenitrile
SMILESCC=C(C)C(C)(C)C(C)(C)C#N
InChIInChI=1S/C11H19N/c1-7-9(2)11(5,6)10(3,4)8-12/h7H,1-6H3
InChIKeyZNBRURVHLZUAGD-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.53
Rot. Bonds2

About 2,2,3,3,4-pentamethylhex-4-enenitrile

2,2,3,3,4-pentamethylhex-4-enenitrile (PubChem CID 87497102) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,2,3,3,4-pentamethylhex-4-enenitrile.

Molecular Properties

Compound Name2,2,3,3,4-pentamethylhex-4-enenitrile
PubChem CID87497102
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,2,3,3,4-pentamethylhex-4-enenitrile
SMILESCC=C(C)C(C)(C)C(C)(C)C#N
InChIInChI=1S/C11H19N/c1-7-9(2)11(5,6)10(3,4)8-12/h7H,1-6H3
InChIKeyZNBRURVHLZUAGD-UHFFFAOYSA-N
XLogP3.53
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4-pentamethylhex-4-enenitrile?
The IUPAC name of 2,2,3,3,4-pentamethylhex-4-enenitrile (CID 87497102) is 2,2,3,3,4-pentamethylhex-4-enenitrile.
What is the SMILES notation for 2,2,3,3,4-pentamethylhex-4-enenitrile?
The canonical SMILES for 2,2,3,3,4-pentamethylhex-4-enenitrile is CC=C(C)C(C)(C)C(C)(C)C#N.
What is the InChIKey of 2,2,3,3,4-pentamethylhex-4-enenitrile?
The InChIKey is ZNBRURVHLZUAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-7-9(2)11(5,6)10(3,4)8-12/h7H,1-6H3.
What are the key properties of 2,2,3,3,4-pentamethylhex-4-enenitrile?
2,2,3,3,4-pentamethylhex-4-enenitrile has a molecular weight of 165.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4-pentamethylhex-4-enenitrile is sourced from PubChem (CID 87497102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).