formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate

C7H10O5 — CID 87297782

IUPACformyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
SMILESO=COCOC(=O)C1(CO)CC1
InChIInChI=1S/C7H10O5/c8-3-7(1-2-7)6(10)12-5-11-4-9/h4,8H,1-3,5H2
InChIKeyHPSWFPMMSSWWMZ-UHFFFAOYSA-N
MW174.15 g/mol
LogP-0.57
Rot. Bonds5

About formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate

formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate (PubChem CID 87297782) has the molecular formula C7H10O5 and a molecular weight of 174.15 g/mol. Its IUPAC name is formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameformyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
PubChem CID87297782
Molecular FormulaC7H10O5
Molecular Weight174.15 g/mol
Exact Mass174.05
IUPAC Nameformyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate
SMILESO=COCOC(=O)C1(CO)CC1
InChIInChI=1S/C7H10O5/c8-3-7(1-2-7)6(10)12-5-11-4-9/h4,8H,1-3,5H2
InChIKeyHPSWFPMMSSWWMZ-UHFFFAOYSA-N
XLogP-0.57
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate?
The IUPAC name of formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate (CID 87297782) is formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate.
What is the SMILES notation for formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate?
The canonical SMILES for formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate is O=COCOC(=O)C1(CO)CC1.
What is the InChIKey of formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate?
The InChIKey is HPSWFPMMSSWWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5/c8-3-7(1-2-7)6(10)12-5-11-4-9/h4,8H,1-3,5H2.
What are the key properties of formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate?
formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate has a molecular weight of 174.15 g/mol, XLogP of -0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 87297782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).