formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate;methyl formate

C9H14O7 — CID 87297781

IUPACformyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate;methyl formate
SMILESCOC=O.O=COCOC(=O)C1(CO)CC1
InChIInChI=1S/C7H10O5.C2H4O2/c8-3-7(1-2-7)6(10)12-5-11-4-9;1-4-2-3/h4,8H,1-3,5H2;2H,1H3
InChIKeyVXSFKHCFFRILIV-UHFFFAOYSA-N
MW234.20 g/mol
LogP-0.78
Rot. Bonds6

About formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate;methyl formate

formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate;methyl formate (PubChem CID 87297781) has the molecular formula C9H14O7 and a molecular weight of 234.20 g/mol. Its IUPAC name is formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate;methyl formate.

Molecular Properties

Compound Nameformyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate;methyl formate
PubChem CID87297781
Molecular FormulaC9H14O7
Molecular Weight234.20 g/mol
Exact Mass234.07
IUPAC Nameformyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate;methyl formate
SMILESCOC=O.O=COCOC(=O)C1(CO)CC1
InChIInChI=1S/C7H10O5.C2H4O2/c8-3-7(1-2-7)6(10)12-5-11-4-9;1-4-2-3/h4,8H,1-3,5H2;2H,1H3
InChIKeyVXSFKHCFFRILIV-UHFFFAOYSA-N
XLogP-0.78
TPSA99.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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;methyl formate?
The IUPAC name of formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate;methyl formate (CID 87297781) is formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate;methyl formate.
What is the SMILES notation for formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate;methyl formate?
The canonical SMILES for formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate;methyl formate is COC=O.O=COCOC(=O)C1(CO)CC1.
What is the InChIKey of formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate;methyl formate?
The InChIKey is VXSFKHCFFRILIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O5.C2H4O2/c8-3-7(1-2-7)6(10)12-5-11-4-9;1-4-2-3/h4,8H,1-3,5H2;2H,1H3.
What are the key properties of formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate;methyl formate?
formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate;methyl formate has a molecular weight of 234.20 g/mol, XLogP of -0.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formyloxymethyl 1-(hydroxymethyl)cyclopropane-1-carboxylate;methyl formate is sourced from PubChem (CID 87297781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).