(E)-1-methoxytridec-5-ene

C14H28O — CID 6366338

IUPAC(E)-1-methoxytridec-5-ene
SMILESCCCCCCC/C=C/CCCCOC
InChIInChI=1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h9-10H,3-8,11-14H2,1-2H3/b10-9+
InChIKeyYPYDBPSWBZGYLW-MDZDMXLPSA-N
MW212.38 g/mol
LogP4.72
Rot. Bonds11

About (E)-1-methoxytridec-5-ene

(E)-1-methoxytridec-5-ene (PubChem CID 6366338) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is (E)-1-methoxytridec-5-ene.

Molecular Properties

Compound Name(E)-1-methoxytridec-5-ene
PubChem CID6366338
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name(E)-1-methoxytridec-5-ene
SMILESCCCCCCC/C=C/CCCCOC
InChIInChI=1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h9-10H,3-8,11-14H2,1-2H3/b10-9+
InChIKeyYPYDBPSWBZGYLW-MDZDMXLPSA-N
XLogP4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-1-methoxytridec-5-ene?
The IUPAC name of (E)-1-methoxytridec-5-ene (CID 6366338) is (E)-1-methoxytridec-5-ene.
What is the SMILES notation for (E)-1-methoxytridec-5-ene?
The canonical SMILES for (E)-1-methoxytridec-5-ene is CCCCCCC/C=C/CCCCOC.
What is the InChIKey of (E)-1-methoxytridec-5-ene?
The InChIKey is YPYDBPSWBZGYLW-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2/h9-10H,3-8,11-14H2,1-2H3/b10-9+.
What are the key properties of (E)-1-methoxytridec-5-ene?
(E)-1-methoxytridec-5-ene has a molecular weight of 212.38 g/mol, XLogP of 4.72, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxytridec-5-ene is sourced from PubChem (CID 6366338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).