(1-formylcyclopropyl)methyl methanesulfonate

C6H10O4S — CID 89355855

IUPAC(1-formylcyclopropyl)methyl methanesulfonate
SMILESCS(=O)(=O)OCC1(C=O)CC1
InChIInChI=1S/C6H10O4S/c1-11(8,9)10-5-6(4-7)2-3-6/h4H,2-3,5H2,1H3
InChIKeyAIFRRVREZSSQAP-UHFFFAOYSA-N
MW178.21 g/mol
LogP-0.06
Rot. Bonds4

About (1-formylcyclopropyl)methyl methanesulfonate

(1-formylcyclopropyl)methyl methanesulfonate (PubChem CID 89355855) has the molecular formula C6H10O4S and a molecular weight of 178.21 g/mol. Its IUPAC name is (1-formylcyclopropyl)methyl methanesulfonate.

Molecular Properties

Compound Name(1-formylcyclopropyl)methyl methanesulfonate
PubChem CID89355855
Molecular FormulaC6H10O4S
Molecular Weight178.21 g/mol
Exact Mass178.03
IUPAC Name(1-formylcyclopropyl)methyl methanesulfonate
SMILESCS(=O)(=O)OCC1(C=O)CC1
InChIInChI=1S/C6H10O4S/c1-11(8,9)10-5-6(4-7)2-3-6/h4H,2-3,5H2,1H3
InChIKeyAIFRRVREZSSQAP-UHFFFAOYSA-N
XLogP-0.06
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-formylcyclopropyl)methyl methanesulfonate?
The IUPAC name of (1-formylcyclopropyl)methyl methanesulfonate (CID 89355855) is (1-formylcyclopropyl)methyl methanesulfonate.
What is the SMILES notation for (1-formylcyclopropyl)methyl methanesulfonate?
The canonical SMILES for (1-formylcyclopropyl)methyl methanesulfonate is CS(=O)(=O)OCC1(C=O)CC1.
What is the InChIKey of (1-formylcyclopropyl)methyl methanesulfonate?
The InChIKey is AIFRRVREZSSQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O4S/c1-11(8,9)10-5-6(4-7)2-3-6/h4H,2-3,5H2,1H3.
What are the key properties of (1-formylcyclopropyl)methyl methanesulfonate?
(1-formylcyclopropyl)methyl methanesulfonate has a molecular weight of 178.21 g/mol, XLogP of -0.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-formylcyclopropyl)methyl methanesulfonate is sourced from PubChem (CID 89355855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).