(E)-tridec-2-ene

C13H26 — CID 5364435

IUPAC(E)-tridec-2-ene
SMILESC/C=C/CCCCCCCCCC
InChIInChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5H,4,6-13H2,1-2H3/b5-3+
InChIKeyXWVHBWQEYOROBE-HWKANZROSA-N
MW182.35 g/mol
LogP5.09
Rot. Bonds9

About (E)-tridec-2-ene

(E)-tridec-2-ene (PubChem CID 5364435) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is (E)-tridec-2-ene.

Molecular Properties

Compound Name(E)-tridec-2-ene
PubChem CID5364435
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name(E)-tridec-2-ene
SMILESC/C=C/CCCCCCCCCC
InChIInChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5H,4,6-13H2,1-2H3/b5-3+
InChIKeyXWVHBWQEYOROBE-HWKANZROSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
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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Frequently Asked Questions

What is the IUPAC name of (E)-tridec-2-ene?
The IUPAC name of (E)-tridec-2-ene (CID 5364435) is (E)-tridec-2-ene.
What is the SMILES notation for (E)-tridec-2-ene?
The canonical SMILES for (E)-tridec-2-ene is C/C=C/CCCCCCCCCC.
What is the InChIKey of (E)-tridec-2-ene?
The InChIKey is XWVHBWQEYOROBE-HWKANZROSA-N. The full InChI is InChI=1S/C13H26/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3,5H,4,6-13H2,1-2H3/b5-3+.
What are the key properties of (E)-tridec-2-ene?
(E)-tridec-2-ene has a molecular weight of 182.35 g/mol, XLogP of 5.09, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-tridec-2-ene is sourced from PubChem (CID 5364435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).