4-methylhexadec-4-ene

C17H34 — CID 174447790

IUPAC4-methylhexadec-4-ene
SMILESCCCCCCCCCCCC=C(C)CCC
InChIInChI=1S/C17H34/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2/h16H,4-15H2,1-3H3
InChIKeyJWNMYXJDZJUVFJ-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.65
Rot. Bonds12

About 4-methylhexadec-4-ene

4-methylhexadec-4-ene (PubChem CID 174447790) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 4-methylhexadec-4-ene.

Molecular Properties

Compound Name4-methylhexadec-4-ene
PubChem CID174447790
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name4-methylhexadec-4-ene
SMILESCCCCCCCCCCCC=C(C)CCC
InChIInChI=1S/C17H34/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2/h16H,4-15H2,1-3H3
InChIKeyJWNMYXJDZJUVFJ-UHFFFAOYSA-N
XLogP6.65
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 ≤ 56.65
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

6-methyldocos-6-ene
CID 629460
(E)-9-methylnonadec-9-ene
CID 14783585
7-methylhenicos-7-ene
CID 173033031
(E)-10-methylnonadec-9-ene
CID 5364653
7-methyloctadec-7-ene
CID 123477460
(E)-6-methylpentadec-5-ene;(E)-6-methylpentadec-6-ene
CID 54602757
(E)-3-methyldec-3-en-1-ol
CID 6428571
3-methyldec-3-en-1-ol
CID 78409313
2,6-dimethyltetradeca-2,6-diene
CID 57189781
3-methylicos-3-ene
CID 91445266
(Z)-3-methylheptadec-3-ene
CID 159647191
(Z)-3-methylpentadec-3-ene
CID 14954714

Frequently Asked Questions

What is the IUPAC name of 4-methylhexadec-4-ene?
The IUPAC name of 4-methylhexadec-4-ene (CID 174447790) is 4-methylhexadec-4-ene.
What is the SMILES notation for 4-methylhexadec-4-ene?
The canonical SMILES for 4-methylhexadec-4-ene is CCCCCCCCCCCC=C(C)CCC.
What is the InChIKey of 4-methylhexadec-4-ene?
The InChIKey is JWNMYXJDZJUVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-4-6-7-8-9-10-11-12-13-14-16-17(3)15-5-2/h16H,4-15H2,1-3H3.
What are the key properties of 4-methylhexadec-4-ene?
4-methylhexadec-4-ene has a molecular weight of 238.46 g/mol, XLogP of 6.65, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylhexadec-4-ene is sourced from PubChem (CID 174447790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).