(E)-8-(methoxymethoxy)tridec-6-ene

C15H30O2 — CID 13267433

IUPAC(E)-8-(methoxymethoxy)tridec-6-ene
SMILESCCCCC/C=C/C(CCCCC)OCOC
InChIInChI=1S/C15H30O2/c1-4-6-8-9-11-13-15(17-14-16-3)12-10-7-5-2/h11,13,15H,4-10,12,14H2,1-3H3/b13-11+
InChIKeyPFJWYSUDLUYVCJ-ACCUITESSA-N
MW242.40 g/mol
LogP4.69
Rot. Bonds12

About (E)-8-(methoxymethoxy)tridec-6-ene

(E)-8-(methoxymethoxy)tridec-6-ene (PubChem CID 13267433) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is (E)-8-(methoxymethoxy)tridec-6-ene.

Molecular Properties

Compound Name(E)-8-(methoxymethoxy)tridec-6-ene
PubChem CID13267433
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name(E)-8-(methoxymethoxy)tridec-6-ene
SMILESCCCCC/C=C/C(CCCCC)OCOC
InChIInChI=1S/C15H30O2/c1-4-6-8-9-11-13-15(17-14-16-3)12-10-7-5-2/h11,13,15H,4-10,12,14H2,1-3H3/b13-11+
InChIKeyPFJWYSUDLUYVCJ-ACCUITESSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-8-(methoxymethoxy)tridec-6-ene?
The IUPAC name of (E)-8-(methoxymethoxy)tridec-6-ene (CID 13267433) is (E)-8-(methoxymethoxy)tridec-6-ene.
What is the SMILES notation for (E)-8-(methoxymethoxy)tridec-6-ene?
The canonical SMILES for (E)-8-(methoxymethoxy)tridec-6-ene is CCCCC/C=C/C(CCCCC)OCOC.
What is the InChIKey of (E)-8-(methoxymethoxy)tridec-6-ene?
The InChIKey is PFJWYSUDLUYVCJ-ACCUITESSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-6-8-9-11-13-15(17-14-16-3)12-10-7-5-2/h11,13,15H,4-10,12,14H2,1-3H3/b13-11+.
What are the key properties of (E)-8-(methoxymethoxy)tridec-6-ene?
(E)-8-(methoxymethoxy)tridec-6-ene has a molecular weight of 242.40 g/mol, XLogP of 4.69, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-8-(methoxymethoxy)tridec-6-ene is sourced from PubChem (CID 13267433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).