17-methylnonadec-1-ene

C20H40 — CID 57339205

IUPAC17-methylnonadec-1-ene
SMILESC=CCCCCCCCCCCCCCCC(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/h4,20H,1,5-19H2,2-3H3
InChIKeyNRDJNVMOHMXHHB-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.68
Rot. Bonds16

About 17-methylnonadec-1-ene

17-methylnonadec-1-ene (PubChem CID 57339205) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 17-methylnonadec-1-ene.

Molecular Properties

Compound Name17-methylnonadec-1-ene
PubChem CID57339205
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name17-methylnonadec-1-ene
SMILESC=CCCCCCCCCCCCCCCC(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/h4,20H,1,5-19H2,2-3H3
InChIKeyNRDJNVMOHMXHHB-UHFFFAOYSA-N
XLogP7.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds16
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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Frequently Asked Questions

What is the IUPAC name of 17-methylnonadec-1-ene?
The IUPAC name of 17-methylnonadec-1-ene (CID 57339205) is 17-methylnonadec-1-ene.
What is the SMILES notation for 17-methylnonadec-1-ene?
The canonical SMILES for 17-methylnonadec-1-ene is C=CCCCCCCCCCCCCCCC(C)CC.
What is the InChIKey of 17-methylnonadec-1-ene?
The InChIKey is NRDJNVMOHMXHHB-UHFFFAOYSA-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/h4,20H,1,5-19H2,2-3H3.
What are the key properties of 17-methylnonadec-1-ene?
17-methylnonadec-1-ene has a molecular weight of 280.54 g/mol, XLogP of 7.68, 16 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 17-methylnonadec-1-ene is sourced from PubChem (CID 57339205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).