3-ethyl-2-methylheptadec-1-ene

C20H40 — CID 44584085

IUPAC3-ethyl-2-methylheptadec-1-ene
SMILESC=C(C)C(CC)CCCCCCCCCCCCCC
InChIInChI=1S/C20H40/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20(6-2)19(3)4/h20H,3,5-18H2,1-2,4H3
InChIKeyFKAXWIGMLUBWHV-UHFFFAOYSA-N
MW280.54 g/mol
LogP7.68
Rot. Bonds15

About 3-ethyl-2-methylheptadec-1-ene

3-ethyl-2-methylheptadec-1-ene (PubChem CID 44584085) has the molecular formula C20H40 and a molecular weight of 280.54 g/mol. Its IUPAC name is 3-ethyl-2-methylheptadec-1-ene.

Molecular Properties

Compound Name3-ethyl-2-methylheptadec-1-ene
PubChem CID44584085
Molecular FormulaC20H40
Molecular Weight280.54 g/mol
Exact Mass280.31
IUPAC Name3-ethyl-2-methylheptadec-1-ene
SMILESC=C(C)C(CC)CCCCCCCCCCCCCC
InChIInChI=1S/C20H40/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20(6-2)19(3)4/h20H,3,5-18H2,1-2,4H3
InChIKeyFKAXWIGMLUBWHV-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methylheptadec-1-ene?
The IUPAC name of 3-ethyl-2-methylheptadec-1-ene (CID 44584085) is 3-ethyl-2-methylheptadec-1-ene.
What is the SMILES notation for 3-ethyl-2-methylheptadec-1-ene?
The canonical SMILES for 3-ethyl-2-methylheptadec-1-ene is C=C(C)C(CC)CCCCCCCCCCCCCC.
What is the InChIKey of 3-ethyl-2-methylheptadec-1-ene?
The InChIKey is FKAXWIGMLUBWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-20(6-2)19(3)4/h20H,3,5-18H2,1-2,4H3.
What are the key properties of 3-ethyl-2-methylheptadec-1-ene?
3-ethyl-2-methylheptadec-1-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 3-ethyl-2-methylheptadec-1-ene is sourced from PubChem (CID 44584085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).