(1-formylcyclopropyl) acetate

C6H8O3 — CID 155705215

IUPAC(1-formylcyclopropyl) acetate
SMILESCC(=O)OC1(C=O)CC1
InChIInChI=1S/C6H8O3/c1-5(8)9-6(4-7)2-3-6/h4H,2-3H2,1H3
InChIKeyQYTMAAVTMUPQSY-UHFFFAOYSA-N
MW128.13 g/mol
LogP0.28
Rot. Bonds2

About (1-formylcyclopropyl) acetate

(1-formylcyclopropyl) acetate (PubChem CID 155705215) has the molecular formula C6H8O3 and a molecular weight of 128.13 g/mol. Its IUPAC name is (1-formylcyclopropyl) acetate.

Molecular Properties

Compound Name(1-formylcyclopropyl) acetate
PubChem CID155705215
Molecular FormulaC6H8O3
Molecular Weight128.13 g/mol
Exact Mass128.05
IUPAC Name(1-formylcyclopropyl) acetate
SMILESCC(=O)OC1(C=O)CC1
InChIInChI=1S/C6H8O3/c1-5(8)9-6(4-7)2-3-6/h4H,2-3H2,1H3
InChIKeyQYTMAAVTMUPQSY-UHFFFAOYSA-N
XLogP0.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium;(1-formylcyclopropyl) acetate;hydride
CID 175076174
(1-propa-1,2-dienylcyclooctyl) acetate
CID 102074040
(1-methylcyclobutyl) acetate
CID 13396130
(2,2-diacetyloxy-1-formylcyclooctyl) acetate
CID 173250012
(1-aminocyclopropyl) acetate;hydrochloride
CID 118035296
(1-sulfanylcyclopropyl) acetate
CID 90315897
(4-formylpiperidin-4-yl) carbamate
CID 175757330
(1-tert-butylcyclopentyl) acetate
CID 58430277
(3,3-difluoro-1-formylcyclopentyl) carbamate
CID 175173267
(1-hydroxycyclooctyl) acetate
CID 91039609
[1-[(E)-3-methylpent-1-enyl]cyclohexyl] acetate
CID 118541075
(1-prop-1-en-2-ylcyclopentyl) acetate
CID 12721513

Frequently Asked Questions

What is the IUPAC name of (1-formylcyclopropyl) acetate?
The IUPAC name of (1-formylcyclopropyl) acetate (CID 155705215) is (1-formylcyclopropyl) acetate.
What is the SMILES notation for (1-formylcyclopropyl) acetate?
The canonical SMILES for (1-formylcyclopropyl) acetate is CC(=O)OC1(C=O)CC1.
What is the InChIKey of (1-formylcyclopropyl) acetate?
The InChIKey is QYTMAAVTMUPQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3/c1-5(8)9-6(4-7)2-3-6/h4H,2-3H2,1H3.
What are the key properties of (1-formylcyclopropyl) acetate?
(1-formylcyclopropyl) acetate has a molecular weight of 128.13 g/mol, XLogP of 0.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-formylcyclopropyl) acetate is sourced from PubChem (CID 155705215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).