methane;methyl 4-oxopentanoate

C8H18O3 — CID 157451764

IUPACmethane;methyl 4-oxopentanoate
SMILESC.C.COC(=O)CCC(C)=O
InChIInChI=1S/C6H10O3.2CH4/c1-5(7)3-4-6(8)9-2;;/h3-4H2,1-2H3;2*1H4
InChIKeyBSWPUXJUYANOQS-UHFFFAOYSA-N
MW162.23 g/mol
LogP1.80
Rot. Bonds3

About methane;methyl 4-oxopentanoate

methane;methyl 4-oxopentanoate (PubChem CID 157451764) has the molecular formula C8H18O3 and a molecular weight of 162.23 g/mol. Its IUPAC name is methane;methyl 4-oxopentanoate.

Molecular Properties

Compound Namemethane;methyl 4-oxopentanoate
PubChem CID157451764
Molecular FormulaC8H18O3
Molecular Weight162.23 g/mol
Exact Mass162.13
IUPAC Namemethane;methyl 4-oxopentanoate
SMILESC.C.COC(=O)CCC(C)=O
InChIInChI=1S/C6H10O3.2CH4/c1-5(7)3-4-6(8)9-2;;/h3-4H2,1-2H3;2*1H4
InChIKeyBSWPUXJUYANOQS-UHFFFAOYSA-N
XLogP1.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methane;methyl 4-oxopentanoate 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

methyl 4-oxopentanoate;propan-2-one
CID 102601184
methane;methyl 3-hydroxypropanoate
CID 165023436
methyl 7-oxooctanoate
CID 539108
methyl 4-oxopentaneperoxoate
CID 172701300
dimethyl (E)-3-methylhex-2-enedioate
CID 134916664
hexane-2,5-dione
CID 8035
methane;1-O-methyl 4-O-[2-(2-oxopropoxy)acetyl] butanedioate
CID 158389706
heptan-2-one;methyl hexanoate
CID 154942909
methyl 3-[2-[bis(3-oxobutyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 89253634
methyl 3-(3-methoxy-3-oxopropyl)germylpropanoate
CID 173417413
4-methoxy-4-oxobutanoate
CID 6930703
methyl 3-[(3-methoxy-3-oxopropyl)-methylarsanyl]propanoate
CID 13124175

Frequently Asked Questions

What is the IUPAC name of methane;methyl 4-oxopentanoate?
The IUPAC name of methane;methyl 4-oxopentanoate (CID 157451764) is methane;methyl 4-oxopentanoate.
What is the SMILES notation for methane;methyl 4-oxopentanoate?
The canonical SMILES for methane;methyl 4-oxopentanoate is C.C.COC(=O)CCC(C)=O.
What is the InChIKey of methane;methyl 4-oxopentanoate?
The InChIKey is BSWPUXJUYANOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3.2CH4/c1-5(7)3-4-6(8)9-2;;/h3-4H2,1-2H3;2*1H4.
What are the key properties of methane;methyl 4-oxopentanoate?
methane;methyl 4-oxopentanoate has a molecular weight of 162.23 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;methyl 4-oxopentanoate is sourced from PubChem (CID 157451764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).