(E)-3-methylnonadec-5-ene

C20H40 — CID 145095642

IUPAC(E)-3-methylnonadec-5-ene
SMILESCCCCCCCCCCCCC/C=C/CC(C)CC
InChIInChI=1S/C20H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)5-2/h17-18,20H,4-16,19H2,1-3H3/b18-17+
InChIKeyJIRVGNNJPGKOMH-ISLYRVAYSA-N
MW280.54 g/mol
LogP7.68
Rot. Bonds15

About (E)-3-methylnonadec-5-ene

(E)-3-methylnonadec-5-ene (PubChem CID 145095642) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is (E)-3-methylnonadec-5-ene.

Molecular Properties

Compound Name(E)-3-methylnonadec-5-ene
PubChem CID145095642
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name(E)-3-methylnonadec-5-ene
SMILESCCCCCCCCCCCCC/C=C/CC(C)CC
InChIInChI=1S/C20H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)5-2/h17-18,20H,4-16,19H2,1-3H3/b18-17+
InChIKeyJIRVGNNJPGKOMH-ISLYRVAYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.54
LogP ≤ 57.68
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)-10-methyloctadec-7-ene
CID 173194246
(E)-5-methyltetradec-7-ene
CID 173194503
(Z)-3-methylheptadec-6-ene
CID 159647190
dec-1-ene;6-methyloct-3-ene
CID 173182573
3-methyltetradec-5-en-1-ol
CID 141478890
(E)-2-methyldec-4-ene
CID 5364887
9,16-dimethyltetracos-11-ene
CID 123705440
(E)-dodec-4-en-2-amine
CID 55254669
8-methyltridec-5-ene
CID 123857568
(E)-hexadec-6-ene
CID 5352260
(Z)-heptacos-11-ene
CID 56936074
triacont-12-ene
CID 54535715

Frequently Asked Questions

What is the IUPAC name of (E)-3-methylnonadec-5-ene?
The IUPAC name of (E)-3-methylnonadec-5-ene (CID 145095642) is (E)-3-methylnonadec-5-ene.
What is the SMILES notation for (E)-3-methylnonadec-5-ene?
The canonical SMILES for (E)-3-methylnonadec-5-ene is CCCCCCCCCCCCC/C=C/CC(C)CC.
What is the InChIKey of (E)-3-methylnonadec-5-ene?
The InChIKey is JIRVGNNJPGKOMH-ISLYRVAYSA-N. The full InChI is InChI=1S/C20H40/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(3)5-2/h17-18,20H,4-16,19H2,1-3H3/b18-17+.
What are the key properties of (E)-3-methylnonadec-5-ene?
(E)-3-methylnonadec-5-ene has a molecular weight of 280.54 g/mol, XLogP of 7.68, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylnonadec-5-ene is sourced from PubChem (CID 145095642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).