2-tridec-1-en-2-yloxytridec-1-ene

C26H50O — CID 19091118

IUPAC2-tridec-1-en-2-yloxytridec-1-ene
SMILESC=C(CCCCCCCCCCC)OC(=C)CCCCCCCCCCC
InChIInChI=1S/C26H50O/c1-5-7-9-11-13-15-17-19-21-23-25(3)27-26(4)24-22-20-18-16-14-12-10-8-6-2/h3-24H2,1-2H3
InChIKeyQXAWYPYRUHHWJR-UHFFFAOYSA-N
MW378.69 g/mol
LogP9.87
Rot. Bonds22

About 2-tridec-1-en-2-yloxytridec-1-ene

2-tridec-1-en-2-yloxytridec-1-ene (PubChem CID 19091118) has the molecular formula C26H50O and a molecular weight of 378.69 g/mol. Its IUPAC name is 2-tridec-1-en-2-yloxytridec-1-ene.

Molecular Properties

Compound Name2-tridec-1-en-2-yloxytridec-1-ene
PubChem CID19091118
Molecular FormulaC26H50O
Molecular Weight378.69 g/mol
Exact Mass378.39
IUPAC Name2-tridec-1-en-2-yloxytridec-1-ene
SMILESC=C(CCCCCCCCCCC)OC(=C)CCCCCCCCCCC
InChIInChI=1S/C26H50O/c1-5-7-9-11-13-15-17-19-21-23-25(3)27-26(4)24-22-20-18-16-14-12-10-8-6-2/h3-24H2,1-2H3
InChIKeyQXAWYPYRUHHWJR-UHFFFAOYSA-N
XLogP9.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.69
LogP ≤ 59.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-tridec-1-en-2-yloxytridec-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tridec-1-en-2-yloxytridec-1-ene?
The IUPAC name of 2-tridec-1-en-2-yloxytridec-1-ene (CID 19091118) is 2-tridec-1-en-2-yloxytridec-1-ene.
What is the SMILES notation for 2-tridec-1-en-2-yloxytridec-1-ene?
The canonical SMILES for 2-tridec-1-en-2-yloxytridec-1-ene is C=C(CCCCCCCCCCC)OC(=C)CCCCCCCCCCC.
What is the InChIKey of 2-tridec-1-en-2-yloxytridec-1-ene?
The InChIKey is QXAWYPYRUHHWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50O/c1-5-7-9-11-13-15-17-19-21-23-25(3)27-26(4)24-22-20-18-16-14-12-10-8-6-2/h3-24H2,1-2H3.
What are the key properties of 2-tridec-1-en-2-yloxytridec-1-ene?
2-tridec-1-en-2-yloxytridec-1-ene has a molecular weight of 378.69 g/mol, XLogP of 9.87, 22 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tridec-1-en-2-yloxytridec-1-ene is sourced from PubChem (CID 19091118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).