4-methoxydecan-3-one

C11H22O2 — CID 83226087

IUPAC4-methoxydecan-3-one
SMILESCCCCCCC(OC)C(=O)CC
InChIInChI=1S/C11H22O2/c1-4-6-7-8-9-11(13-3)10(12)5-2/h11H,4-9H2,1-3H3
InChIKeyBTALDAFTNHEQMI-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.95
Rot. Bonds8

About 4-methoxydecan-3-one

4-methoxydecan-3-one (PubChem CID 83226087) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-methoxydecan-3-one.

Molecular Properties

Compound Name4-methoxydecan-3-one
PubChem CID83226087
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-methoxydecan-3-one
SMILESCCCCCCC(OC)C(=O)CC
InChIInChI=1S/C11H22O2/c1-4-6-7-8-9-11(13-3)10(12)5-2/h11H,4-9H2,1-3H3
InChIKeyBTALDAFTNHEQMI-UHFFFAOYSA-N
XLogP2.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.95
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-methoxyundecan-3-one
CID 83225236
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
(4S)-4-ethyldecan-3-one
CID 134895926
(2S)-2-methoxyhexanoic acid
CID 129373931
(E)-5-methoxy-4-methyldec-3-en-2-one
CID 87291179

Frequently Asked Questions

What is the IUPAC name of 4-methoxydecan-3-one?
The IUPAC name of 4-methoxydecan-3-one (CID 83226087) is 4-methoxydecan-3-one.
What is the SMILES notation for 4-methoxydecan-3-one?
The canonical SMILES for 4-methoxydecan-3-one is CCCCCCC(OC)C(=O)CC.
What is the InChIKey of 4-methoxydecan-3-one?
The InChIKey is BTALDAFTNHEQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-6-7-8-9-11(13-3)10(12)5-2/h11H,4-9H2,1-3H3.
What are the key properties of 4-methoxydecan-3-one?
4-methoxydecan-3-one has a molecular weight of 186.29 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxydecan-3-one is sourced from PubChem (CID 83226087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).