1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite

C6H9O6S- — CID 174677516

IUPAC1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite
SMILESCC(OS(=O)[O-])C1COC(C=O)O1
InChIInChI=1S/C6H10O6S/c1-4(12-13(8)9)5-3-10-6(2-7)11-5/h2,4-6H,3H2,1H3,(H,8,9)/p-1
InChIKeyLAULOANKZNDIEZ-UHFFFAOYSA-M
MW209.20 g/mol
LogP-0.87
Rot. Bonds4

About 1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite

1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite (PubChem CID 174677516) has the molecular formula C6H9O6S- and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite.

Molecular Properties

Compound Name1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite
PubChem CID174677516
Molecular FormulaC6H9O6S-
Molecular Weight209.20 g/mol
Exact Mass209.01
IUPAC Name1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite
SMILESCC(OS(=O)[O-])C1COC(C=O)O1
InChIInChI=1S/C6H10O6S/c1-4(12-13(8)9)5-3-10-6(2-7)11-5/h2,4-6H,3H2,1H3,(H,8,9)/p-1
InChIKeyLAULOANKZNDIEZ-UHFFFAOYSA-M
XLogP-0.87
TPSA84.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(propan-2-yloxymethyl)-1,3-dioxolane-2-carbaldehyde
CID 174783735
4-chloro-1,3-dioxolane-2-carbaldehyde
CID 174481906
5,5-dimethyl-4-propan-2-yl-1,3-dioxane-2-carbaldehyde
CID 14401442
(2R,3S)-3-[(1S)-1-methoxyethyl]oxirane-2-carbaldehyde
CID 44541819
4-methylpentan-2-yl sulfite
CID 57157047
4-(benzenesulfinylmethyl)-1,3-dioxolane-2-carbaldehyde
CID 174760212
1,3,5-trioxane-2,4,6-tricarbaldehyde
CID 54209022
1-aminopropan-2-yl sulfite
CID 174396129
(2R)-2-[(1R)-1-methoxyethyl]oxirane
CID 124579088
1-(2-cyclohexyl-1,3-dioxolan-4-yl)ethyl prop-2-enoate
CID 135235608
(2R,3R)-3-propan-2-yloxirane-2-carbaldehyde
CID 131197385
1-(oxiran-2-yl)ethanethiol
CID 141230840

Frequently Asked Questions

What is the IUPAC name of 1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite?
The IUPAC name of 1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite (CID 174677516) is 1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite.
What is the SMILES notation for 1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite?
The canonical SMILES for 1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite is CC(OS(=O)[O-])C1COC(C=O)O1.
What is the InChIKey of 1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite?
The InChIKey is LAULOANKZNDIEZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10O6S/c1-4(12-13(8)9)5-3-10-6(2-7)11-5/h2,4-6H,3H2,1H3,(H,8,9)/p-1.
What are the key properties of 1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite?
1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite has a molecular weight of 209.20 g/mol, XLogP of -0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-formyl-1,3-dioxolan-4-yl)ethyl sulfite is sourced from PubChem (CID 174677516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).