(4E,14E)-2-methylnonadeca-4,14-diene

C20H38 — CID 177270218

IUPAC(4E,14E)-2-methylnonadeca-4,14-diene
SMILESCCCC/C=C/CCCCCCCC/C=C/CC(C)C
InChIInChI=1S/C20H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3/h7-8,17-18,20H,4-6,9-16,19H2,1-3H3/b8-7+,18-17+
InChIKeyFCFFFCJXCFADAY-RSIFQWQVSA-N
MW278.52 g/mol
LogP7.46
Rot. Bonds14

About (4E,14E)-2-methylnonadeca-4,14-diene

(4E,14E)-2-methylnonadeca-4,14-diene (PubChem CID 177270218) has the molecular formula C20H38 and a molecular weight of 278.52 g/mol. Its IUPAC name is (4E,14E)-2-methylnonadeca-4,14-diene.

Molecular Properties

Compound Name(4E,14E)-2-methylnonadeca-4,14-diene
PubChem CID177270218
Molecular FormulaC20H38
Molecular Weight278.52 g/mol
Exact Mass278.30
IUPAC Name(4E,14E)-2-methylnonadeca-4,14-diene
SMILESCCCC/C=C/CCCCCCCC/C=C/CC(C)C
InChIInChI=1S/C20H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3/h7-8,17-18,20H,4-6,9-16,19H2,1-3H3/b8-7+,18-17+
InChIKeyFCFFFCJXCFADAY-RSIFQWQVSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.52
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(E)-2-methyldec-4-ene
CID 5364887
(4E,7E)-2-methylheptadeca-4,7-diene
CID 177270095
2-methyldodeca-4,7-diene
CID 123659021
2,13-dimethyltetradec-4-ene
CID 139930710
docos-5-ene
CID 54227700
nonadec-5-ene
CID 543596
(Z)-11-methyldodec-5-ene
CID 159147265
(E)-dodec-4-en-2-amine
CID 55254669
(E)-3-methylnonadec-5-ene
CID 145095642
(5E,9E)-nonacosa-5,9-diene
CID 56936191
heptadeca-5,9-diene
CID 123203573
(Z)-22-methyltricos-9-ene
CID 152752766

Frequently Asked Questions

What is the IUPAC name of (4E,14E)-2-methylnonadeca-4,14-diene?
The IUPAC name of (4E,14E)-2-methylnonadeca-4,14-diene (CID 177270218) is (4E,14E)-2-methylnonadeca-4,14-diene.
What is the SMILES notation for (4E,14E)-2-methylnonadeca-4,14-diene?
The canonical SMILES for (4E,14E)-2-methylnonadeca-4,14-diene is CCCC/C=C/CCCCCCCC/C=C/CC(C)C.
What is the InChIKey of (4E,14E)-2-methylnonadeca-4,14-diene?
The InChIKey is FCFFFCJXCFADAY-RSIFQWQVSA-N. The full InChI is InChI=1S/C20H38/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2)3/h7-8,17-18,20H,4-6,9-16,19H2,1-3H3/b8-7+,18-17+.
What are the key properties of (4E,14E)-2-methylnonadeca-4,14-diene?
(4E,14E)-2-methylnonadeca-4,14-diene has a molecular weight of 278.52 g/mol, XLogP of 7.46, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,14E)-2-methylnonadeca-4,14-diene is sourced from PubChem (CID 177270218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).