4-methoxyundecan-3-one

C12H24O2 — CID 83225236

IUPAC4-methoxyundecan-3-one
SMILESCCCCCCCC(OC)C(=O)CC
InChIInChI=1S/C12H24O2/c1-4-6-7-8-9-10-12(14-3)11(13)5-2/h12H,4-10H2,1-3H3
InChIKeyQMRVIXFIQGGMGZ-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.34
Rot. Bonds9

About 4-methoxyundecan-3-one

4-methoxyundecan-3-one (PubChem CID 83225236) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4-methoxyundecan-3-one.

Molecular Properties

Compound Name4-methoxyundecan-3-one
PubChem CID83225236
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name4-methoxyundecan-3-one
SMILESCCCCCCCC(OC)C(=O)CC
InChIInChI=1S/C12H24O2/c1-4-6-7-8-9-10-12(14-3)11(13)5-2/h12H,4-10H2,1-3H3
InChIKeyQMRVIXFIQGGMGZ-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxydecan-3-one
CID 83226087
2-methoxyhexadecanoic acid
CID 656825
2-methoxytetracosanoic acid
CID 10453501
2-methoxypentacosanoic acid
CID 10476799
4-methoxypentadecan-5-one
CID 116708152
5-methoxynonan-4-one
CID 83225262
methyl 2-methoxyheptanoate
CID 87952097
4-ethoxyoctan-3-one
CID 83226323
(Z)-2-methoxyoctadec-9-enoic acid
CID 46235517
(2S)-2-methoxyhexanoic acid
CID 129373931
(4S)-4-ethyldecan-3-one
CID 134895926
(E)-5-methoxy-4-methyldec-3-en-2-one
CID 87291179

Frequently Asked Questions

What is the IUPAC name of 4-methoxyundecan-3-one?
The IUPAC name of 4-methoxyundecan-3-one (CID 83225236) is 4-methoxyundecan-3-one.
What is the SMILES notation for 4-methoxyundecan-3-one?
The canonical SMILES for 4-methoxyundecan-3-one is CCCCCCCC(OC)C(=O)CC.
What is the InChIKey of 4-methoxyundecan-3-one?
The InChIKey is QMRVIXFIQGGMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-6-7-8-9-10-12(14-3)11(13)5-2/h12H,4-10H2,1-3H3.
What are the key properties of 4-methoxyundecan-3-one?
4-methoxyundecan-3-one has a molecular weight of 200.32 g/mol, XLogP of 3.34, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyundecan-3-one is sourced from PubChem (CID 83225236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).