2-methylhexadec-7-ene

C17H34 — CID 537212

IUPAC2-methylhexadec-7-ene
SMILESCCCCCCCCC=CCCCCC(C)C
InChIInChI=1S/C17H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h11-12,17H,4-10,13-16H2,1-3H3
InChIKeyAOQKOJLGEWMVIG-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.51
Rot. Bonds12

About 2-methylhexadec-7-ene

2-methylhexadec-7-ene (PubChem CID 537212) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 2-methylhexadec-7-ene.

Molecular Properties

Compound Name2-methylhexadec-7-ene
PubChem CID537212
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name2-methylhexadec-7-ene
SMILESCCCCCCCCC=CCCCCC(C)C
InChIInChI=1S/C17H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h11-12,17H,4-10,13-16H2,1-3H3
InChIKeyAOQKOJLGEWMVIG-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.46
LogP ≤ 56.51
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-methylhexadec-7-ene?
The IUPAC name of 2-methylhexadec-7-ene (CID 537212) is 2-methylhexadec-7-ene.
What is the SMILES notation for 2-methylhexadec-7-ene?
The canonical SMILES for 2-methylhexadec-7-ene is CCCCCCCCC=CCCCCC(C)C.
What is the InChIKey of 2-methylhexadec-7-ene?
The InChIKey is AOQKOJLGEWMVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(2)3/h11-12,17H,4-10,13-16H2,1-3H3.
What are the key properties of 2-methylhexadec-7-ene?
2-methylhexadec-7-ene has a molecular weight of 238.46 g/mol, XLogP of 6.51, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhexadec-7-ene is sourced from PubChem (CID 537212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).