trideca-6,7-diene

C13H24 — CID 11159670

IUPACtrideca-6,7-diene
SMILESCCCCCC=C=CCCCCC
InChIInChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyAQQOCXKNUAEPSY-UHFFFAOYSA-N
MW180.34 g/mol
LogP4.86
Rot. Bonds8

About trideca-6,7-diene

trideca-6,7-diene (PubChem CID 11159670) has the molecular formula C13H24 and a molecular weight of 180.34 g/mol. Its IUPAC name is trideca-6,7-diene.

Molecular Properties

Compound Nametrideca-6,7-diene
PubChem CID11159670
Molecular FormulaC13H24
Molecular Weight180.34 g/mol
Exact Mass180.19
IUPAC Nametrideca-6,7-diene
SMILESCCCCCC=C=CCCCCC
InChIInChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h11-12H,3-10H2,1-2H3
InChIKeyAQQOCXKNUAEPSY-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.34
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trideca-6,7-diene?
The IUPAC name of trideca-6,7-diene (CID 11159670) is trideca-6,7-diene.
What is the SMILES notation for trideca-6,7-diene?
The canonical SMILES for trideca-6,7-diene is CCCCCC=C=CCCCCC.
What is the InChIKey of trideca-6,7-diene?
The InChIKey is AQQOCXKNUAEPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-3-5-7-9-11-13-12-10-8-6-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of trideca-6,7-diene?
trideca-6,7-diene has a molecular weight of 180.34 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trideca-6,7-diene is sourced from PubChem (CID 11159670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).