tridec-1-ene

C13H26 — CID 17095

IUPACtridec-1-ene
SMILESC=CCCCCCCCCCCC
InChIInChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3
InChIKeyVQOXUMQBYILCKR-UHFFFAOYSA-N
MW182.35 g/mol
LogP5.09
Rot. Bonds10

About tridec-1-ene

tridec-1-ene (PubChem CID 17095) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is tridec-1-ene.

Molecular Properties

Compound Nametridec-1-ene
PubChem CID17095
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Nametridec-1-ene
SMILESC=CCCCCCCCCCCC
InChIInChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3
InChIKeyVQOXUMQBYILCKR-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500182.35
LogP ≤ 55.09
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

1-Octene
CID 8125
1-Dodecene
CID 8183
1-Nonene
CID 31285
1-Decene
CID 13381
1-Hexadecene
CID 12395
1-Tetradecene
CID 14260
1-Octadecene
CID 8217
1-Undecene
CID 13190
Undecene
CID 5364452
1-Pentadecene
CID 25913
1,9-Decadiene
CID 15439
Decene
CID 5364559

Frequently Asked Questions

What is the IUPAC name of tridec-1-ene?
The IUPAC name of tridec-1-ene (CID 17095) is tridec-1-ene.
What is the SMILES notation for tridec-1-ene?
The canonical SMILES for tridec-1-ene is C=CCCCCCCCCCCC.
What is the InChIKey of tridec-1-ene?
The InChIKey is VQOXUMQBYILCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3H,1,4-13H2,2H3.
What are the key properties of tridec-1-ene?
tridec-1-ene has a molecular weight of 182.35 g/mol, XLogP of 5.09, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tridec-1-ene is sourced from PubChem (CID 17095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).