2-methylheptadec-2-ene

C18H36 — CID 19035609

IUPAC2-methylheptadec-2-ene
SMILESCCCCCCCCCCCCCCC=C(C)C
InChIInChI=1S/C18H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h17H,4-16H2,1-3H3
InChIKeyUEBOMKDPPLWDDH-UHFFFAOYSA-N
MW252.49 g/mol
LogP7.04
Rot. Bonds13

About 2-methylheptadec-2-ene

2-methylheptadec-2-ene (PubChem CID 19035609) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 2-methylheptadec-2-ene.

Molecular Properties

Compound Name2-methylheptadec-2-ene
PubChem CID19035609
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name2-methylheptadec-2-ene
SMILESCCCCCCCCCCCCCCC=C(C)C
InChIInChI=1S/C18H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h17H,4-16H2,1-3H3
InChIKeyUEBOMKDPPLWDDH-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 57.04
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 2-methylheptadec-2-ene?
The IUPAC name of 2-methylheptadec-2-ene (CID 19035609) is 2-methylheptadec-2-ene.
What is the SMILES notation for 2-methylheptadec-2-ene?
The canonical SMILES for 2-methylheptadec-2-ene is CCCCCCCCCCCCCCC=C(C)C.
What is the InChIKey of 2-methylheptadec-2-ene?
The InChIKey is UEBOMKDPPLWDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(2)3/h17H,4-16H2,1-3H3.
What are the key properties of 2-methylheptadec-2-ene?
2-methylheptadec-2-ene has a molecular weight of 252.49 g/mol, XLogP of 7.04, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylheptadec-2-ene is sourced from PubChem (CID 19035609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).