3-methoxycarbonyloxypropyl sulfite

C5H9O6S- — CID 118684463

IUPAC3-methoxycarbonyloxypropyl sulfite
SMILESCOC(=O)OCCCOS(=O)[O-]
InChIInChI=1S/C5H10O6S/c1-9-5(6)10-3-2-4-11-12(7)8/h2-4H2,1H3,(H,7,8)/p-1
InChIKeyZGSOSPSAUOTKIH-UHFFFAOYSA-M
MW197.19 g/mol
LogP-0.03
Rot. Bonds5

About 3-methoxycarbonyloxypropyl sulfite

3-methoxycarbonyloxypropyl sulfite (PubChem CID 118684463) has the molecular formula C5H9O6S- and a molecular weight of 197.19 g/mol. Its IUPAC name is 3-methoxycarbonyloxypropyl sulfite.

Molecular Properties

Compound Name3-methoxycarbonyloxypropyl sulfite
PubChem CID118684463
Molecular FormulaC5H9O6S-
Molecular Weight197.19 g/mol
Exact Mass197.01
IUPAC Name3-methoxycarbonyloxypropyl sulfite
SMILESCOC(=O)OCCCOS(=O)[O-]
InChIInChI=1S/C5H10O6S/c1-9-5(6)10-3-2-4-11-12(7)8/h2-4H2,1H3,(H,7,8)/p-1
InChIKeyZGSOSPSAUOTKIH-UHFFFAOYSA-M
XLogP-0.03
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.03
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

2-methoxycarbonyloxyethyl sulfite
CID 118684459
6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
2-methoxyethyl sulfite
CID 54514151
bis(ethane-1,2-diol);2-hydroxyethyl sulfite
CID 174827171
3-(methylamino)propyl sulfite
CID 57067037
tetrakis(2-hydroxyethyl methyl carbonate);methane;tetrakis(yttrium)
CID 158329975
4-(2-methoxyethoxy)butyl methyl carbonate
CID 87247594
azane;methyl tetradecyl carbonate
CID 118914581
5-chloropentyl methyl carbonate
CID 103970733
methoxycarbonyl sulfite
CID 123953005
5-aminopentyl sulfite
CID 57200749

Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonyloxypropyl sulfite?
The IUPAC name of 3-methoxycarbonyloxypropyl sulfite (CID 118684463) is 3-methoxycarbonyloxypropyl sulfite.
What is the SMILES notation for 3-methoxycarbonyloxypropyl sulfite?
The canonical SMILES for 3-methoxycarbonyloxypropyl sulfite is COC(=O)OCCCOS(=O)[O-].
What is the InChIKey of 3-methoxycarbonyloxypropyl sulfite?
The InChIKey is ZGSOSPSAUOTKIH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10O6S/c1-9-5(6)10-3-2-4-11-12(7)8/h2-4H2,1H3,(H,7,8)/p-1.
What are the key properties of 3-methoxycarbonyloxypropyl sulfite?
3-methoxycarbonyloxypropyl sulfite has a molecular weight of 197.19 g/mol, XLogP of -0.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonyloxypropyl sulfite is sourced from PubChem (CID 118684463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).