2-methoxycarbonyloxyethyl sulfite

C4H7O6S- — CID 118684459

IUPAC2-methoxycarbonyloxyethyl sulfite
SMILESCOC(=O)OCCOS(=O)[O-]
InChIInChI=1S/C4H8O6S/c1-8-4(5)9-2-3-10-11(6)7/h2-3H2,1H3,(H,6,7)/p-1
InChIKeyXAEFBSJRVCMZGA-UHFFFAOYSA-M
MW183.16 g/mol
LogP-0.42
Rot. Bonds4

About 2-methoxycarbonyloxyethyl sulfite

2-methoxycarbonyloxyethyl sulfite (PubChem CID 118684459) has the molecular formula C4H7O6S- and a molecular weight of 183.16 g/mol. Its IUPAC name is 2-methoxycarbonyloxyethyl sulfite.

Molecular Properties

Compound Name2-methoxycarbonyloxyethyl sulfite
PubChem CID118684459
Molecular FormulaC4H7O6S-
Molecular Weight183.16 g/mol
Exact Mass183.00
IUPAC Name2-methoxycarbonyloxyethyl sulfite
SMILESCOC(=O)OCCOS(=O)[O-]
InChIInChI=1S/C4H8O6S/c1-8-4(5)9-2-3-10-11(6)7/h2-3H2,1H3,(H,6,7)/p-1
InChIKeyXAEFBSJRVCMZGA-UHFFFAOYSA-M
XLogP-0.42
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 5-0.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

3-methoxycarbonyloxypropyl sulfite
CID 118684463
2-methoxyethyl sulfite
CID 54514151
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
methoxycarbonyl sulfite
CID 123953005
bis(ethane-1,2-diol);2-hydroxyethyl sulfite
CID 174827171
2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl methyl carbonate
CID 87247613
(4-methoxy-2-methyl-4-oxobutyl) sulfite
CID 174272202
2-[(2-amino-2-oxoethyl)amino]ethyl sulfite
CID 91068123
tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium)
CID 158329975
2-(2-chloroethoxy)ethyl methyl carbonate
CID 103970602
2-methoxycarbonyloxyethyl 2-(2-methoxycarbonyloxypropanoyloxy)propanoate
CID 20768535

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonyloxyethyl sulfite?
The IUPAC name of 2-methoxycarbonyloxyethyl sulfite (CID 118684459) is 2-methoxycarbonyloxyethyl sulfite.
What is the SMILES notation for 2-methoxycarbonyloxyethyl sulfite?
The canonical SMILES for 2-methoxycarbonyloxyethyl sulfite is COC(=O)OCCOS(=O)[O-].
What is the InChIKey of 2-methoxycarbonyloxyethyl sulfite?
The InChIKey is XAEFBSJRVCMZGA-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8O6S/c1-8-4(5)9-2-3-10-11(6)7/h2-3H2,1H3,(H,6,7)/p-1.
What are the key properties of 2-methoxycarbonyloxyethyl sulfite?
2-methoxycarbonyloxyethyl sulfite has a molecular weight of 183.16 g/mol, XLogP of -0.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonyloxyethyl sulfite is sourced from PubChem (CID 118684459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).