(E)-2-methoxy-5,7-dimethyldec-7-en-3-one

C13H24O2 — CID 174147360

IUPAC(E)-2-methoxy-5,7-dimethyldec-7-en-3-one
SMILESCC/C=C(\C)CC(C)CC(=O)C(C)OC
InChIInChI=1S/C13H24O2/c1-6-7-10(2)8-11(3)9-13(14)12(4)15-5/h7,11-12H,6,8-9H2,1-5H3/b10-7+
InChIKeyZOGAWIRRDXTFNO-JXMROGBWSA-N
MW212.33 g/mol
LogP3.36
Rot. Bonds7

About (E)-2-methoxy-5,7-dimethyldec-7-en-3-one

(E)-2-methoxy-5,7-dimethyldec-7-en-3-one (PubChem CID 174147360) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (E)-2-methoxy-5,7-dimethyldec-7-en-3-one.

Molecular Properties

Compound Name(E)-2-methoxy-5,7-dimethyldec-7-en-3-one
PubChem CID174147360
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(E)-2-methoxy-5,7-dimethyldec-7-en-3-one
SMILESCC/C=C(\C)CC(C)CC(=O)C(C)OC
InChIInChI=1S/C13H24O2/c1-6-7-10(2)8-11(3)9-13(14)12(4)15-5/h7,11-12H,6,8-9H2,1-5H3/b10-7+
InChIKeyZOGAWIRRDXTFNO-JXMROGBWSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-methoxy-5,7-dimethyldec-7-en-3-one?
The IUPAC name of (E)-2-methoxy-5,7-dimethyldec-7-en-3-one (CID 174147360) is (E)-2-methoxy-5,7-dimethyldec-7-en-3-one.
What is the SMILES notation for (E)-2-methoxy-5,7-dimethyldec-7-en-3-one?
The canonical SMILES for (E)-2-methoxy-5,7-dimethyldec-7-en-3-one is CC/C=C(\C)CC(C)CC(=O)C(C)OC.
What is the InChIKey of (E)-2-methoxy-5,7-dimethyldec-7-en-3-one?
The InChIKey is ZOGAWIRRDXTFNO-JXMROGBWSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-7-10(2)8-11(3)9-13(14)12(4)15-5/h7,11-12H,6,8-9H2,1-5H3/b10-7+.
What are the key properties of (E)-2-methoxy-5,7-dimethyldec-7-en-3-one?
(E)-2-methoxy-5,7-dimethyldec-7-en-3-one has a molecular weight of 212.33 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methoxy-5,7-dimethyldec-7-en-3-one is sourced from PubChem (CID 174147360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).