7-methylhexadec-5-ene

C17H34 — CID 150059561

IUPAC7-methylhexadec-5-ene
SMILESCCCCC=CC(C)CCCCCCCCC
InChIInChI=1S/C17H34/c1-4-6-8-10-11-12-14-16-17(3)15-13-9-7-5-2/h13,15,17H,4-12,14,16H2,1-3H3
InChIKeyDMZVAHRTAMMFJA-UHFFFAOYSA-N
MW238.46 g/mol
LogP6.51
Rot. Bonds12

About 7-methylhexadec-5-ene

7-methylhexadec-5-ene (PubChem CID 150059561) has the molecular formula C17H34 and a molecular weight of 238.46 g/mol. Its IUPAC name is 7-methylhexadec-5-ene.

Molecular Properties

Compound Name7-methylhexadec-5-ene
PubChem CID150059561
Molecular FormulaC17H34
Molecular Weight238.46 g/mol
Exact Mass238.27
IUPAC Name7-methylhexadec-5-ene
SMILESCCCCC=CC(C)CCCCCCCCC
InChIInChI=1S/C17H34/c1-4-6-8-10-11-12-14-16-17(3)15-13-9-7-5-2/h13,15,17H,4-12,14,16H2,1-3H3
InChIKeyDMZVAHRTAMMFJA-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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Related Compounds

(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
5-methylpentadec-6-ene
CID 123440014
5-methyldodec-6-ene
CID 86165480
(E)-5-methyldodec-3-ene
CID 173194511
5,10-dimethylhexadec-8-ene
CID 91557751
(E)-7-methyl-1-propoxyoctadec-8-ene
CID 126586442
(E)-3-methylundec-4-en-1-ol
CID 121006781
9-methylnonadec-10-enoic acid
CID 57288184
12-methyl-2-tetradecylicos-13-enoic acid
CID 174214797
3-methyltetradec-4-ene
CID 123180851
6-methyltetracos-4-enoic acid
CID 173102051

Frequently Asked Questions

What is the IUPAC name of 7-methylhexadec-5-ene?
The IUPAC name of 7-methylhexadec-5-ene (CID 150059561) is 7-methylhexadec-5-ene.
What is the SMILES notation for 7-methylhexadec-5-ene?
The canonical SMILES for 7-methylhexadec-5-ene is CCCCC=CC(C)CCCCCCCCC.
What is the InChIKey of 7-methylhexadec-5-ene?
The InChIKey is DMZVAHRTAMMFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34/c1-4-6-8-10-11-12-14-16-17(3)15-13-9-7-5-2/h13,15,17H,4-12,14,16H2,1-3H3.
What are the key properties of 7-methylhexadec-5-ene?
7-methylhexadec-5-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 7-methylhexadec-5-ene is sourced from PubChem (CID 150059561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).