5-methyldodec-6-ene

C13H26 — CID 86165480

IUPAC5-methyldodec-6-ene
SMILESCCCCCC=CC(C)CCCC
InChIInChI=1S/C13H26/c1-4-6-8-9-10-12-13(3)11-7-5-2/h10,12-13H,4-9,11H2,1-3H3
InChIKeyOGKCYNOLOAVPQK-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.95
Rot. Bonds8

About 5-methyldodec-6-ene

5-methyldodec-6-ene (PubChem CID 86165480) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 5-methyldodec-6-ene.

Molecular Properties

Compound Name5-methyldodec-6-ene
PubChem CID86165480
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name5-methyldodec-6-ene
SMILESCCCCCC=CC(C)CCCC
InChIInChI=1S/C13H26/c1-4-6-8-9-10-12-13(3)11-7-5-2/h10,12-13H,4-9,11H2,1-3H3
InChIKeyOGKCYNOLOAVPQK-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
LogP ≤ 54.95
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-methylpentadec-6-ene
CID 123440014
(E)-10-methylheptadec-8-ene
CID 10923034
(E,11S)-11-methyltricos-9-ene
CID 163215390
7-methylhexadec-5-ene
CID 150059561
(E)-3-methyldec-4-ene
CID 5364642
(E)-3-methylundec-4-en-1-ol
CID 121006781
5,10-dimethylhexadec-8-ene
CID 91557751
3-methyltetradec-4-ene
CID 123180851
(E)-7-methyl-1-propoxyoctadec-8-ene
CID 126586442
(E,5S)-5-methylnon-3-ene
CID 101420891
9-methylnonadec-10-enoic acid
CID 57288184
12-methyl-2-tetradecylicos-13-enoic acid
CID 174214797

Frequently Asked Questions

What is the IUPAC name of 5-methyldodec-6-ene?
The IUPAC name of 5-methyldodec-6-ene (CID 86165480) is 5-methyldodec-6-ene.
What is the SMILES notation for 5-methyldodec-6-ene?
The canonical SMILES for 5-methyldodec-6-ene is CCCCCC=CC(C)CCCC.
What is the InChIKey of 5-methyldodec-6-ene?
The InChIKey is OGKCYNOLOAVPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-4-6-8-9-10-12-13(3)11-7-5-2/h10,12-13H,4-9,11H2,1-3H3.
What are the key properties of 5-methyldodec-6-ene?
5-methyldodec-6-ene has a molecular weight of 182.35 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyldodec-6-ene is sourced from PubChem (CID 86165480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).