1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite

C7H11O5S- — CID 175560298

IUPAC1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite
SMILESC=C(C)C(=O)OCC(C)OS(=O)[O-]
InChIInChI=1S/C7H12O5S/c1-5(2)7(8)11-4-6(3)12-13(9)10/h6H,1,4H2,2-3H3,(H,9,10)/p-1
InChIKeyGFOHAKWXBNFOTA-UHFFFAOYSA-M
MW207.23 g/mol
LogP0.30
Rot. Bonds5

About 1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite

1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite (PubChem CID 175560298) has the molecular formula C7H11O5S- and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite.

Molecular Properties

Compound Name1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite
PubChem CID175560298
Molecular FormulaC7H11O5S-
Molecular Weight207.23 g/mol
Exact Mass207.03
IUPAC Name1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite
SMILESC=C(C)C(=O)OCC(C)OS(=O)[O-]
InChIInChI=1S/C7H12O5S/c1-5(2)7(8)11-4-6(3)12-13(9)10/h6H,1,4H2,2-3H3,(H,9,10)/p-1
InChIKeyGFOHAKWXBNFOTA-UHFFFAOYSA-M
XLogP0.30
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
ethane;2-methanidylpropyl 2-methylprop-2-enoate;tungsten(2+)
CID 20605307
bis(ethane-1,2-diol);ethene;2-(2-methylprop-2-enoyloxy)propyl 2-methylprop-2-enoate
CID 173326702
methyl-[1-(2-methylprop-2-enoyloxy)propan-2-yloxy]phosphinic acid
CID 88872166
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
zinc bis(2-methyl-3-(2-methylprop-2-enoyloxy)propanoate)
CID 160963047
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
[3-hydroxy-2-methyl-4-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 19428941
ethane;(3-hydroxy-2-methylpropyl) 2-methylprop-2-enoate
CID 171797944
CID 166515106
CID 166515106
[2-methyl-4-(2-methylprop-2-enoyloxy)pentyl] 2-methylprop-2-enoate
CID 19428958

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite?
The IUPAC name of 1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite (CID 175560298) is 1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite.
What is the SMILES notation for 1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite?
The canonical SMILES for 1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite is C=C(C)C(=O)OCC(C)OS(=O)[O-].
What is the InChIKey of 1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite?
The InChIKey is GFOHAKWXBNFOTA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H12O5S/c1-5(2)7(8)11-4-6(3)12-13(9)10/h6H,1,4H2,2-3H3,(H,9,10)/p-1.
What are the key properties of 1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite?
1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite has a molecular weight of 207.23 g/mol, XLogP of 0.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enoyloxy)propan-2-yl sulfite is sourced from PubChem (CID 175560298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).