5-methylpentadec-6-ene

C16H32 — CID 123440014

IUPAC5-methylpentadec-6-ene
SMILESCCCCCCCCC=CC(C)CCCC
InChIInChI=1S/C16H32/c1-4-6-8-9-10-11-12-13-15-16(3)14-7-5-2/h13,15-16H,4-12,14H2,1-3H3
InChIKeyFBFODNBMHNHYLL-UHFFFAOYSA-N
MW224.43 g/mol
LogP6.12
Rot. Bonds11

About 5-methylpentadec-6-ene

5-methylpentadec-6-ene (PubChem CID 123440014) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 5-methylpentadec-6-ene.

Molecular Properties

Compound Name5-methylpentadec-6-ene
PubChem CID123440014
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name5-methylpentadec-6-ene
SMILESCCCCCCCCC=CC(C)CCCC
InChIInChI=1S/C16H32/c1-4-6-8-9-10-11-12-13-15-16(3)14-7-5-2/h13,15-16H,4-12,14H2,1-3H3
InChIKeyFBFODNBMHNHYLL-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 56.12
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

5-methyldodec-6-ene
CID 86165480
(E,11S)-11-methyltricos-9-ene
CID 163215390
(E)-10-methylheptadec-8-ene
CID 10923034
7-methylhexadec-5-ene
CID 150059561
(E)-3-methylundec-4-en-1-ol
CID 121006781
3-methyltetradec-4-ene
CID 123180851
5,10-dimethylhexadec-8-ene
CID 91557751
(E)-7-methyl-1-propoxyoctadec-8-ene
CID 126586442
(E)-3-methyldec-4-ene
CID 5364642
9-methylnonadec-10-enoic acid
CID 57288184
12-methyl-2-tetradecylicos-13-enoic acid
CID 174214797
(E)-5-methyldodec-3-ene
CID 173194511

Frequently Asked Questions

What is the IUPAC name of 5-methylpentadec-6-ene?
The IUPAC name of 5-methylpentadec-6-ene (CID 123440014) is 5-methylpentadec-6-ene.
What is the SMILES notation for 5-methylpentadec-6-ene?
The canonical SMILES for 5-methylpentadec-6-ene is CCCCCCCCC=CC(C)CCCC.
What is the InChIKey of 5-methylpentadec-6-ene?
The InChIKey is FBFODNBMHNHYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-4-6-8-9-10-11-12-13-15-16(3)14-7-5-2/h13,15-16H,4-12,14H2,1-3H3.
What are the key properties of 5-methylpentadec-6-ene?
5-methylpentadec-6-ene has a molecular weight of 224.43 g/mol, XLogP of 6.12, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylpentadec-6-ene is sourced from PubChem (CID 123440014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).