(E)-dodec-8-enenitrile

C12H21N — CID 101282237

IUPAC(E)-dodec-8-enenitrile
SMILESCCC/C=C/CCCCCCC#N
InChIInChI=1S/C12H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h4-5H,2-3,6-11H2,1H3/b5-4+
InChIKeyLNGYJFFRXRWEMF-SNAWJCMRSA-N
MW179.31 g/mol
LogP4.21
Rot. Bonds8

About (E)-dodec-8-enenitrile

(E)-dodec-8-enenitrile (PubChem CID 101282237) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is (E)-dodec-8-enenitrile.

Molecular Properties

Compound Name(E)-dodec-8-enenitrile
PubChem CID101282237
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name(E)-dodec-8-enenitrile
SMILESCCC/C=C/CCCCCCC#N
InChIInChI=1S/C12H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h4-5H,2-3,6-11H2,1H3/b5-4+
InChIKeyLNGYJFFRXRWEMF-SNAWJCMRSA-N
XLogP4.21
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

octadec-6-enenitrile
CID 54098739
(E)-dec-7-enenitrile
CID 88850471
3-[(E)-pentadec-11-enoxy]propanenitrile
CID 101282707
3-[[(E)-dec-6-enyl]amino]propanenitrile
CID 101282868
tricosa-4,19-diene
CID 142680711
hexadeca-4,12-diene
CID 71384995
(E)-tridec-11-enenitrile
CID 101282243
(E)-dec-4-enenitrile
CID 88850530
(5E,7E)-tetradeca-5,7-dienenitrile
CID 11989535
(E)-(111C)non-4-enenitrile
CID 10103223
2-methyltetracos-20-enenitrile
CID 175156352
octadecanenitrile
CID 12532

Frequently Asked Questions

What is the IUPAC name of (E)-dodec-8-enenitrile?
The IUPAC name of (E)-dodec-8-enenitrile (CID 101282237) is (E)-dodec-8-enenitrile.
What is the SMILES notation for (E)-dodec-8-enenitrile?
The canonical SMILES for (E)-dodec-8-enenitrile is CCC/C=C/CCCCCCC#N.
What is the InChIKey of (E)-dodec-8-enenitrile?
The InChIKey is LNGYJFFRXRWEMF-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H21N/c1-2-3-4-5-6-7-8-9-10-11-12-13/h4-5H,2-3,6-11H2,1H3/b5-4+.
What are the key properties of (E)-dodec-8-enenitrile?
(E)-dodec-8-enenitrile has a molecular weight of 179.31 g/mol, XLogP of 4.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-dodec-8-enenitrile is sourced from PubChem (CID 101282237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).