(E)-1,10-dimethoxy-6-methyldec-5-en-4-one

C13H24O3 — CID 89358514

IUPAC(E)-1,10-dimethoxy-6-methyldec-5-en-4-one
SMILESCOCCCC/C(C)=C/C(=O)CCCOC
InChIInChI=1S/C13H24O3/c1-12(7-4-5-9-15-2)11-13(14)8-6-10-16-3/h11H,4-10H2,1-3H3/b12-11+
InChIKeyXDNUDHAUCUMEIL-VAWYXSNFSA-N
MW228.33 g/mol
LogP2.75
Rot. Bonds10

About (E)-1,10-dimethoxy-6-methyldec-5-en-4-one

(E)-1,10-dimethoxy-6-methyldec-5-en-4-one (PubChem CID 89358514) has the molecular formula C13H24O3 and a molecular weight of 228.33 g/mol. Its IUPAC name is (E)-1,10-dimethoxy-6-methyldec-5-en-4-one.

Molecular Properties

Compound Name(E)-1,10-dimethoxy-6-methyldec-5-en-4-one
PubChem CID89358514
Molecular FormulaC13H24O3
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name(E)-1,10-dimethoxy-6-methyldec-5-en-4-one
SMILESCOCCCC/C(C)=C/C(=O)CCCOC
InChIInChI=1S/C13H24O3/c1-12(7-4-5-9-15-2)11-13(14)8-6-10-16-3/h11H,4-10H2,1-3H3/b12-11+
InChIKeyXDNUDHAUCUMEIL-VAWYXSNFSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1,10-dimethoxy-6-methyldec-5-en-4-one?
The IUPAC name of (E)-1,10-dimethoxy-6-methyldec-5-en-4-one (CID 89358514) is (E)-1,10-dimethoxy-6-methyldec-5-en-4-one.
What is the SMILES notation for (E)-1,10-dimethoxy-6-methyldec-5-en-4-one?
The canonical SMILES for (E)-1,10-dimethoxy-6-methyldec-5-en-4-one is COCCCC/C(C)=C/C(=O)CCCOC.
What is the InChIKey of (E)-1,10-dimethoxy-6-methyldec-5-en-4-one?
The InChIKey is XDNUDHAUCUMEIL-VAWYXSNFSA-N. The full InChI is InChI=1S/C13H24O3/c1-12(7-4-5-9-15-2)11-13(14)8-6-10-16-3/h11H,4-10H2,1-3H3/b12-11+.
What are the key properties of (E)-1,10-dimethoxy-6-methyldec-5-en-4-one?
(E)-1,10-dimethoxy-6-methyldec-5-en-4-one has a molecular weight of 228.33 g/mol, XLogP of 2.75, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,10-dimethoxy-6-methyldec-5-en-4-one is sourced from PubChem (CID 89358514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).