(2Z,6E)-3,7-dimethylnona-2,6-dienenitrile

C11H17N — CID 55250627

IUPAC(2Z,6E)-3,7-dimethylnona-2,6-dienenitrile
SMILESCC/C(C)=C/CC/C(C)=C\C#N
InChIInChI=1S/C11H17N/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8H,4-5,7H2,1-3H3/b10-6+,11-8-
InChIKeyDHJVLXVXNFUSMU-HOLFWZHHSA-N
MW163.26 g/mol
LogP3.59
Rot. Bonds4

About (2Z,6E)-3,7-dimethylnona-2,6-dienenitrile

(2Z,6E)-3,7-dimethylnona-2,6-dienenitrile (PubChem CID 55250627) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2Z,6E)-3,7-dimethylnona-2,6-dienenitrile.

Molecular Properties

Compound Name(2Z,6E)-3,7-dimethylnona-2,6-dienenitrile
PubChem CID55250627
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2Z,6E)-3,7-dimethylnona-2,6-dienenitrile
SMILESCC/C(C)=C/CC/C(C)=C\C#N
InChIInChI=1S/C11H17N/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8H,4-5,7H2,1-3H3/b10-6+,11-8-
InChIKeyDHJVLXVXNFUSMU-HOLFWZHHSA-N
XLogP3.59
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,6E)-3,7-dimethylnona-2,6-dienenitrile?
The IUPAC name of (2Z,6E)-3,7-dimethylnona-2,6-dienenitrile (CID 55250627) is (2Z,6E)-3,7-dimethylnona-2,6-dienenitrile.
What is the SMILES notation for (2Z,6E)-3,7-dimethylnona-2,6-dienenitrile?
The canonical SMILES for (2Z,6E)-3,7-dimethylnona-2,6-dienenitrile is CC/C(C)=C/CC/C(C)=C\C#N.
What is the InChIKey of (2Z,6E)-3,7-dimethylnona-2,6-dienenitrile?
The InChIKey is DHJVLXVXNFUSMU-HOLFWZHHSA-N. The full InChI is InChI=1S/C11H17N/c1-4-10(2)6-5-7-11(3)8-9-12/h6,8H,4-5,7H2,1-3H3/b10-6+,11-8-.
What are the key properties of (2Z,6E)-3,7-dimethylnona-2,6-dienenitrile?
(2Z,6E)-3,7-dimethylnona-2,6-dienenitrile has a molecular weight of 163.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E)-3,7-dimethylnona-2,6-dienenitrile is sourced from PubChem (CID 55250627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).