[1-ethyl-2-(hydroxymethyl)cyclopropyl] formate

C7H12O3 — CID 174988476

IUPAC[1-ethyl-2-(hydroxymethyl)cyclopropyl] formate
SMILESCCC1(OC=O)CC1CO
InChIInChI=1S/C7H12O3/c1-2-7(10-5-9)3-6(7)4-8/h5-6,8H,2-4H2,1H3
InChIKeyJKMZBLLYCVMEOD-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.32
Rot. Bonds4

About [1-ethyl-2-(hydroxymethyl)cyclopropyl] formate

[1-ethyl-2-(hydroxymethyl)cyclopropyl] formate (PubChem CID 174988476) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is [1-ethyl-2-(hydroxymethyl)cyclopropyl] formate.

Molecular Properties

Compound Name[1-ethyl-2-(hydroxymethyl)cyclopropyl] formate
PubChem CID174988476
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name[1-ethyl-2-(hydroxymethyl)cyclopropyl] formate
SMILESCCC1(OC=O)CC1CO
InChIInChI=1S/C7H12O3/c1-2-7(10-5-9)3-6(7)4-8/h5-6,8H,2-4H2,1H3
InChIKeyJKMZBLLYCVMEOD-UHFFFAOYSA-N
XLogP0.32
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-2-(hydroxymethyl)cyclopropyl] formate?
The IUPAC name of [1-ethyl-2-(hydroxymethyl)cyclopropyl] formate (CID 174988476) is [1-ethyl-2-(hydroxymethyl)cyclopropyl] formate.
What is the SMILES notation for [1-ethyl-2-(hydroxymethyl)cyclopropyl] formate?
The canonical SMILES for [1-ethyl-2-(hydroxymethyl)cyclopropyl] formate is CCC1(OC=O)CC1CO.
What is the InChIKey of [1-ethyl-2-(hydroxymethyl)cyclopropyl] formate?
The InChIKey is JKMZBLLYCVMEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-2-7(10-5-9)3-6(7)4-8/h5-6,8H,2-4H2,1H3.
What are the key properties of [1-ethyl-2-(hydroxymethyl)cyclopropyl] formate?
[1-ethyl-2-(hydroxymethyl)cyclopropyl] formate has a molecular weight of 144.17 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-2-(hydroxymethyl)cyclopropyl] formate is sourced from PubChem (CID 174988476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).