(E)-1-methoxydec-2-ene

C11H22O — CID 13033699

IUPAC(E)-1-methoxydec-2-ene
SMILESCCCCCCC/C=C/COC
InChIInChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11-12-2/h9-10H,3-8,11H2,1-2H3/b10-9+
InChIKeyOEAFPKBLJDXDJT-MDZDMXLPSA-N
MW170.30 g/mol
LogP3.55
Rot. Bonds8

About (E)-1-methoxydec-2-ene

(E)-1-methoxydec-2-ene (PubChem CID 13033699) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (E)-1-methoxydec-2-ene.

Molecular Properties

Compound Name(E)-1-methoxydec-2-ene
PubChem CID13033699
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(E)-1-methoxydec-2-ene
SMILESCCCCCCC/C=C/COC
InChIInChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11-12-2/h9-10H,3-8,11H2,1-2H3/b10-9+
InChIKeyOEAFPKBLJDXDJT-MDZDMXLPSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.55
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-methoxydec-2-ene?
The IUPAC name of (E)-1-methoxydec-2-ene (CID 13033699) is (E)-1-methoxydec-2-ene.
What is the SMILES notation for (E)-1-methoxydec-2-ene?
The canonical SMILES for (E)-1-methoxydec-2-ene is CCCCCCC/C=C/COC.
What is the InChIKey of (E)-1-methoxydec-2-ene?
The InChIKey is OEAFPKBLJDXDJT-MDZDMXLPSA-N. The full InChI is InChI=1S/C11H22O/c1-3-4-5-6-7-8-9-10-11-12-2/h9-10H,3-8,11H2,1-2H3/b10-9+.
What are the key properties of (E)-1-methoxydec-2-ene?
(E)-1-methoxydec-2-ene has a molecular weight of 170.30 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methoxydec-2-ene is sourced from PubChem (CID 13033699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).