iodomethane;4-methoxy-4-oxobutanoic acid

C6H11IO4 — CID 87985757

IUPACiodomethane;4-methoxy-4-oxobutanoic acid
SMILESCI.COC(=O)CCC(=O)O
InChIInChI=1S/C5H8O4.CH3I/c1-9-5(8)3-2-4(6)7;1-2/h2-3H2,1H3,(H,6,7);1H3
InChIKeyWPOJQMHQHQXMGP-UHFFFAOYSA-N
MW274.05 g/mol
LogP1.08
Rot. Bonds3

About iodomethane;4-methoxy-4-oxobutanoic acid

iodomethane;4-methoxy-4-oxobutanoic acid (PubChem CID 87985757) has the molecular formula C6H11IO4 and a molecular weight of 274.05 g/mol. Its IUPAC name is iodomethane;4-methoxy-4-oxobutanoic acid.

Molecular Properties

Compound Nameiodomethane;4-methoxy-4-oxobutanoic acid
PubChem CID87985757
Molecular FormulaC6H11IO4
Molecular Weight274.05 g/mol
Exact Mass273.97
IUPAC Nameiodomethane;4-methoxy-4-oxobutanoic acid
SMILESCI.COC(=O)CCC(=O)O
InChIInChI=1S/C5H8O4.CH3I/c1-9-5(8)3-2-4(6)7;1-2/h2-3H2,1H3,(H,6,7);1H3
InChIKeyWPOJQMHQHQXMGP-UHFFFAOYSA-N
XLogP1.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.05
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methanol;4-methoxy-4-oxobutanoic acid
CID 91072132
hexakis(butanedioic acid);ethane-1,2-diol;4-methoxy-4-oxobutanoic acid
CID 173361871
4-methoxy-4-oxobutanoic acid;propa-1,2-diene
CID 174933165
dimethyl tetradecanedioate;tetradecanedioic acid
CID 175922218
dimethyl butanedioate;hexanoic acid
CID 174884800
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
8-methoxy-8-oxooctanoic acid;hydrochloride
CID 87214836
4-methoxy-4-oxobutanoic acid;pyrrolidine-2,5-dione
CID 70093227
4-[[(4-methoxy-4-oxobutanoyl)carbamoylamino]oxycarbamoylamino]-4-oxobutanoic acid
CID 87758902
13-methoxy-13-oxotridecanoic acid;N-methylmethanamine
CID 88504944
3-[2-carboxyethyl-(3-methoxy-3-oxopropyl)phosphanyl]propanoic acid
CID 71420350
3-[2-[2-[2-[2-[2-[2-[2-[2-(3-methoxy-3-oxopropoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 172894169

Frequently Asked Questions

What is the IUPAC name of iodomethane;4-methoxy-4-oxobutanoic acid?
The IUPAC name of iodomethane;4-methoxy-4-oxobutanoic acid (CID 87985757) is iodomethane;4-methoxy-4-oxobutanoic acid.
What is the SMILES notation for iodomethane;4-methoxy-4-oxobutanoic acid?
The canonical SMILES for iodomethane;4-methoxy-4-oxobutanoic acid is CI.COC(=O)CCC(=O)O.
What is the InChIKey of iodomethane;4-methoxy-4-oxobutanoic acid?
The InChIKey is WPOJQMHQHQXMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O4.CH3I/c1-9-5(8)3-2-4(6)7;1-2/h2-3H2,1H3,(H,6,7);1H3.
What are the key properties of iodomethane;4-methoxy-4-oxobutanoic acid?
iodomethane;4-methoxy-4-oxobutanoic acid has a molecular weight of 274.05 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;4-methoxy-4-oxobutanoic acid is sourced from PubChem (CID 87985757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).