4-methoxyundecan-2-one

C12H24O2 — CID 14005013

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

About 4-methoxyundecan-2-one

4-methoxyundecan-2-one (PubChem CID 14005013) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 4-methoxyundecan-2-one.

Molecular Properties

Compound Name4-methoxyundecan-2-one
PubChem CID14005013
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name4-methoxyundecan-2-one
SMILESCCCCCCCC(CC(C)=O)OC
InChIInChI=1S/C12H24O2/c1-4-5-6-7-8-9-12(14-3)10-11(2)13/h12H,4-10H2,1-3H3
InChIKeyOQMDTUOCAXZDFT-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

3-methoxynonanoic acid
CID 139673009
2-oxodecan-4-yl 6-bromo-3-methoxyhexanoate
CID 176737054
4-ethoxytridecan-2-one
CID 89225856
4-methoxy-2-methylundec-1-ene
CID 162400851
(5S)-5-methoxyundecane
CID 118889956
ethyl 6-methoxy-8-oxononanoate
CID 59791318
4-methoxydodecanoic acid
CID 141170784
13-methoxyhenicosanoic acid
CID 15389271
methyl (13R)-13-methoxynonadecanoate
CID 163048020
6,9,12-trimethoxyoctadecanoic acid
CID 22371562
12-methoxyoctadecan-1-ol
CID 18347175
(4S)-4-methoxyundecan-1-ol
CID 53329455

Frequently Asked Questions

What is the IUPAC name of 4-methoxyundecan-2-one?
The IUPAC name of 4-methoxyundecan-2-one (CID 14005013) is 4-methoxyundecan-2-one.
What is the SMILES notation for 4-methoxyundecan-2-one?
The canonical SMILES for 4-methoxyundecan-2-one is CCCCCCCC(CC(C)=O)OC.
What is the InChIKey of 4-methoxyundecan-2-one?
The InChIKey is OQMDTUOCAXZDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-4-5-6-7-8-9-12(14-3)10-11(2)13/h12H,4-10H2,1-3H3.
What are the key properties of 4-methoxyundecan-2-one?
4-methoxyundecan-2-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-2-one is sourced from PubChem (CID 14005013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).