(2Z)-4,8-dimethylnona-2,7-dienenitrile

C11H17N — CID 24972380

IUPAC(2Z)-4,8-dimethylnona-2,7-dienenitrile
SMILESCC(C)=CCCC(C)/C=C\C#N
InChIInChI=1S/C11H17N/c1-10(2)6-4-7-11(3)8-5-9-12/h5-6,8,11H,4,7H2,1-3H3/b8-5-
InChIKeyHYEVWBHSOYENON-YVMONPNESA-N
MW163.26 g/mol
LogP3.45
Rot. Bonds4

About (2Z)-4,8-dimethylnona-2,7-dienenitrile

(2Z)-4,8-dimethylnona-2,7-dienenitrile (PubChem CID 24972380) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2Z)-4,8-dimethylnona-2,7-dienenitrile.

Molecular Properties

Compound Name(2Z)-4,8-dimethylnona-2,7-dienenitrile
PubChem CID24972380
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2Z)-4,8-dimethylnona-2,7-dienenitrile
SMILESCC(C)=CCCC(C)/C=C\C#N
InChIInChI=1S/C11H17N/c1-10(2)6-4-7-11(3)8-5-9-12/h5-6,8,11H,4,7H2,1-3H3/b8-5-
InChIKeyHYEVWBHSOYENON-YVMONPNESA-N
XLogP3.45
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 ≤ 53.45
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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Related Compounds

1-bromo-3,7-dimethylocta-1,6-diene
CID 154265835
2,6-dimethylhept-5-enal
CID 158364508
3,7-dimethyloct-6-enenitrile
CID 89052536
(1E,3R)-N,N-diethyl-3,7-dimethylocta-1,6-dien-1-amine
CID 11042011
ethyl (2E)-4,8-dimethylnona-2,7-dienoate
CID 11830711
(6E,11E)-2,6,10-trimethyltrideca-2,6,11-triene
CID 148658393
(10S)-2,6,10-trimethyltrideca-2,6,11-triene
CID 57030104
3,7-dimethyl-2-propan-2-yloct-6-enenitrile
CID 86099595
2-hydroxy-4,8-dimethylnon-7-enenitrile
CID 59050259
(3E)-5,9,13-trimethyltetradeca-3,8,12-trien-2-one
CID 91460202
methyl 5,9-dimethyldeca-3,8-dienoate
CID 71334771
3,7-dimethyloct-6-enyl thiocyanate
CID 119088419

Frequently Asked Questions

What is the IUPAC name of (2Z)-4,8-dimethylnona-2,7-dienenitrile?
The IUPAC name of (2Z)-4,8-dimethylnona-2,7-dienenitrile (CID 24972380) is (2Z)-4,8-dimethylnona-2,7-dienenitrile.
What is the SMILES notation for (2Z)-4,8-dimethylnona-2,7-dienenitrile?
The canonical SMILES for (2Z)-4,8-dimethylnona-2,7-dienenitrile is CC(C)=CCCC(C)/C=C\C#N.
What is the InChIKey of (2Z)-4,8-dimethylnona-2,7-dienenitrile?
The InChIKey is HYEVWBHSOYENON-YVMONPNESA-N. The full InChI is InChI=1S/C11H17N/c1-10(2)6-4-7-11(3)8-5-9-12/h5-6,8,11H,4,7H2,1-3H3/b8-5-.
What are the key properties of (2Z)-4,8-dimethylnona-2,7-dienenitrile?
(2Z)-4,8-dimethylnona-2,7-dienenitrile has a molecular weight of 163.26 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4,8-dimethylnona-2,7-dienenitrile is sourced from PubChem (CID 24972380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).