(3E)-4,8-dimethylnona-3,7-dienenitrile

C11H17N — CID 6437614

IUPAC(3E)-4,8-dimethylnona-3,7-dienenitrile
SMILESCC(C)=CCC/C(C)=C/CC#N
InChIInChI=1S/C11H17N/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8H,4-5,7H2,1-3H3/b11-8+
InChIKeyFRTXHDQZMMZCOJ-DHZHZOJOSA-N
MW163.26 g/mol
LogP3.59
Rot. Bonds4

About (3E)-4,8-dimethylnona-3,7-dienenitrile

(3E)-4,8-dimethylnona-3,7-dienenitrile (PubChem CID 6437614) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (3E)-4,8-dimethylnona-3,7-dienenitrile.

Molecular Properties

Compound Name(3E)-4,8-dimethylnona-3,7-dienenitrile
PubChem CID6437614
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(3E)-4,8-dimethylnona-3,7-dienenitrile
SMILESCC(C)=CCC/C(C)=C/CC#N
InChIInChI=1S/C11H17N/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8H,4-5,7H2,1-3H3/b11-8+
InChIKeyFRTXHDQZMMZCOJ-DHZHZOJOSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-4,8-dimethylnona-3,7-dienenitrile?
The IUPAC name of (3E)-4,8-dimethylnona-3,7-dienenitrile (CID 6437614) is (3E)-4,8-dimethylnona-3,7-dienenitrile.
What is the SMILES notation for (3E)-4,8-dimethylnona-3,7-dienenitrile?
The canonical SMILES for (3E)-4,8-dimethylnona-3,7-dienenitrile is CC(C)=CCC/C(C)=C/CC#N.
What is the InChIKey of (3E)-4,8-dimethylnona-3,7-dienenitrile?
The InChIKey is FRTXHDQZMMZCOJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H17N/c1-10(2)6-4-7-11(3)8-5-9-12/h6,8H,4-5,7H2,1-3H3/b11-8+.
What are the key properties of (3E)-4,8-dimethylnona-3,7-dienenitrile?
(3E)-4,8-dimethylnona-3,7-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 (3E)-4,8-dimethylnona-3,7-dienenitrile is sourced from PubChem (CID 6437614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).