(E)-5-methoxy-4-methyldec-3-en-2-one

C12H22O2 — CID 87291179

IUPAC(E)-5-methoxy-4-methyldec-3-en-2-one
SMILESCCCCCC(OC)/C(C)=C/C(C)=O
InChIInChI=1S/C12H22O2/c1-5-6-7-8-12(14-4)10(2)9-11(3)13/h9,12H,5-8H2,1-4H3/b10-9+
InChIKeyULQLBNVPOLXFPD-MDZDMXLPSA-N
MW198.31 g/mol
LogP3.12
Rot. Bonds7

About (E)-5-methoxy-4-methyldec-3-en-2-one

(E)-5-methoxy-4-methyldec-3-en-2-one (PubChem CID 87291179) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (E)-5-methoxy-4-methyldec-3-en-2-one.

Molecular Properties

Compound Name(E)-5-methoxy-4-methyldec-3-en-2-one
PubChem CID87291179
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(E)-5-methoxy-4-methyldec-3-en-2-one
SMILESCCCCCC(OC)/C(C)=C/C(C)=O
InChIInChI=1S/C12H22O2/c1-5-6-7-8-12(14-4)10(2)9-11(3)13/h9,12H,5-8H2,1-4H3/b10-9+
InChIKeyULQLBNVPOLXFPD-MDZDMXLPSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

(E)-5-methoxy-4,8-dimethylnon-3-en-2-one
CID 87291238
2-methoxyhexadecanoic acid
CID 656825
2-methoxytetracosanoic acid
CID 10453501
methyl 2-methoxyheptanoate
CID 87952097
2-methoxypentacosanoic acid
CID 10476799
4-methoxydecan-3-one
CID 83226087
4-methoxyundecan-3-one
CID 83225236
(E)-5-hydroxy-4-methylnon-3-en-2-one
CID 87291496
(Z)-2-methoxyoctadec-9-enoic acid
CID 46235517
(2S)-2-methoxyhexanoic acid
CID 129373931
(E)-2-butyl-3-methyl-5-oxohex-3-enoic acid
CID 11715353
acetyl 2-methoxyhexanoate
CID 88548292

Frequently Asked Questions

What is the IUPAC name of (E)-5-methoxy-4-methyldec-3-en-2-one?
The IUPAC name of (E)-5-methoxy-4-methyldec-3-en-2-one (CID 87291179) is (E)-5-methoxy-4-methyldec-3-en-2-one.
What is the SMILES notation for (E)-5-methoxy-4-methyldec-3-en-2-one?
The canonical SMILES for (E)-5-methoxy-4-methyldec-3-en-2-one is CCCCCC(OC)/C(C)=C/C(C)=O.
What is the InChIKey of (E)-5-methoxy-4-methyldec-3-en-2-one?
The InChIKey is ULQLBNVPOLXFPD-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H22O2/c1-5-6-7-8-12(14-4)10(2)9-11(3)13/h9,12H,5-8H2,1-4H3/b10-9+.
What are the key properties of (E)-5-methoxy-4-methyldec-3-en-2-one?
(E)-5-methoxy-4-methyldec-3-en-2-one has a molecular weight of 198.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-methoxy-4-methyldec-3-en-2-one is sourced from PubChem (CID 87291179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).