3-methoxypentan-2-one

C6H12O2 — CID 58979809

IUPAC3-methoxypentan-2-one
SMILESCCC(OC)C(C)=O
InChIInChI=1S/C6H12O2/c1-4-6(8-3)5(2)7/h6H,4H2,1-3H3
InChIKeyFTNLCEAONBXWSO-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.00
Rot. Bonds3

About 3-methoxypentan-2-one

3-methoxypentan-2-one (PubChem CID 58979809) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-methoxypentan-2-one.

Molecular Properties

Compound Name3-methoxypentan-2-one
PubChem CID58979809
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-methoxypentan-2-one
SMILESCCC(OC)C(C)=O
InChIInChI=1S/C6H12O2/c1-4-6(8-3)5(2)7/h6H,4H2,1-3H3
InChIKeyFTNLCEAONBXWSO-UHFFFAOYSA-N
XLogP1.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methane;3-methoxypentan-2-one
CID 158529059
5-methoxy-3,4-dimethylhept-3-en-2-one
CID 91349574
ethyl 2-methoxybutanoate
CID 59767959
1,2-dimethoxybutane;1,3-dimethoxy-2-methylpropane;methane;2-methoxybutan-1-ol;3-methoxy-2-methylpropan-1-ol;3-methoxypentan-2-one
CID 159413366
CID 159429006
CID 159429006
3-methoxyhept-6-en-2-one
CID 45085639
3-methoxy-5,7-dimethyloctan-2-one
CID 87291206
3-methoxy-8-methylnonan-2-one
CID 87291086
[(3R)-2-oxopentan-3-yl] trifluoromethanesulfonate
CID 59038139
3-methoxy-1-propan-2-yloxypentan-2-one
CID 116707377
2-oxoethyl 2-methoxybutanoate;yttrium
CID 58083925
ethyl 5-methoxy-4-oxoheptanoate
CID 116727981

Frequently Asked Questions

What is the IUPAC name of 3-methoxypentan-2-one?
The IUPAC name of 3-methoxypentan-2-one (CID 58979809) is 3-methoxypentan-2-one.
What is the SMILES notation for 3-methoxypentan-2-one?
The canonical SMILES for 3-methoxypentan-2-one is CCC(OC)C(C)=O.
What is the InChIKey of 3-methoxypentan-2-one?
The InChIKey is FTNLCEAONBXWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-4-6(8-3)5(2)7/h6H,4H2,1-3H3.
What are the key properties of 3-methoxypentan-2-one?
3-methoxypentan-2-one has a molecular weight of 116.16 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypentan-2-one is sourced from PubChem (CID 58979809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).