methane;3-methoxypentan-2-one

C8H20O2 — CID 158529059

IUPACmethane;3-methoxypentan-2-one
SMILESC.C.CCC(OC)C(C)=O
InChIInChI=1S/C6H12O2.2CH4/c1-4-6(8-3)5(2)7;;/h6H,4H2,1-3H3;2*1H4
InChIKeyHNDIIXILJYDQQN-UHFFFAOYSA-N
MW148.25 g/mol
LogP2.27
Rot. Bonds3

About methane;3-methoxypentan-2-one

methane;3-methoxypentan-2-one (PubChem CID 158529059) has the molecular formula C8H20O2 and a molecular weight of 148.25 g/mol. Its IUPAC name is methane;3-methoxypentan-2-one.

Molecular Properties

Compound Namemethane;3-methoxypentan-2-one
PubChem CID158529059
Molecular FormulaC8H20O2
Molecular Weight148.25 g/mol
Exact Mass148.15
IUPAC Namemethane;3-methoxypentan-2-one
SMILESC.C.CCC(OC)C(C)=O
InChIInChI=1S/C6H12O2.2CH4/c1-4-6(8-3)5(2)7;;/h6H,4H2,1-3H3;2*1H4
InChIKeyHNDIIXILJYDQQN-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methane;3-methoxypentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxypentan-2-one
CID 58979809
5-methoxy-3,4-dimethylhept-3-en-2-one
CID 91349574
CID 159429006
CID 159429006
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
ethyl 2-methoxybutanoate
CID 59767959
3-methoxyhept-6-en-2-one
CID 45085639
3-methoxy-8-methylnonan-2-one
CID 87291086
3-methoxy-5,7-dimethyloctan-2-one
CID 87291206
[(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 methane;3-methoxypentan-2-one?
The IUPAC name of methane;3-methoxypentan-2-one (CID 158529059) is methane;3-methoxypentan-2-one.
What is the SMILES notation for methane;3-methoxypentan-2-one?
The canonical SMILES for methane;3-methoxypentan-2-one is C.C.CCC(OC)C(C)=O.
What is the InChIKey of methane;3-methoxypentan-2-one?
The InChIKey is HNDIIXILJYDQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.2CH4/c1-4-6(8-3)5(2)7;;/h6H,4H2,1-3H3;2*1H4.
What are the key properties of methane;3-methoxypentan-2-one?
methane;3-methoxypentan-2-one has a molecular weight of 148.25 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-methoxypentan-2-one is sourced from PubChem (CID 158529059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).