[1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate

C10H16O3 — CID 57237184

IUPAC[1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate
SMILESC=CC(=O)OC1(CCOCC)CC1
InChIInChI=1S/C10H16O3/c1-3-9(11)13-10(5-6-10)7-8-12-4-2/h3H,1,4-8H2,2H3
InChIKeyFOLFCKMLGKHRFQ-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds6

About [1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate

[1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate (PubChem CID 57237184) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate.

Molecular Properties

Compound Name[1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate
PubChem CID57237184
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate
SMILESC=CC(=O)OC1(CCOCC)CC1
InChIInChI=1S/C10H16O3/c1-3-9(11)13-10(5-6-10)7-8-12-4-2/h3H,1,4-8H2,2H3
InChIKeyFOLFCKMLGKHRFQ-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1-propylcyclononyl) prop-2-enoate
CID 141276110
(1,3-diethyl-3-methylcyclohexyl) prop-2-enoate
CID 89042692
1-(2-ethoxyethyl)-1-[1-(2-ethoxyethyl)cyclododecyl]oxycyclododecane
CID 70544538
4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-ethoxybutoxy)butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butoxy]butyl prop-2-enoate
CID 22918013
6-ethoxyhexyl prop-2-enoate
CID 88877184
oxiran-2-ylmethyl 2-methylprop-2-enoate;(1-propylcyclopropyl) prop-2-enoate
CID 87085924
2-(2-ethoxyethoxy)ethanol;methyl prop-2-enoate
CID 159658370
[(E)-2-(2-ethoxyethoxy)ethenyl] prop-2-enoate
CID 164848684
ethoxyethane;2-hydroxyethyl prop-2-enoate
CID 87338158
[2-[2-(2-prop-2-enoyloxyoxetan-2-yl)ethyl]oxetan-2-yl] prop-2-enoate
CID 175067757
4-[1-(2-methoxyethyl)cyclopropyl]oxycarbonylpenta-2,4-dienoic acid
CID 87591637
2-(2-ethoxyethoxy)ethyl prop-2-enoate;pentyl prop-2-enoate
CID 174792741

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate?
The IUPAC name of [1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate (CID 57237184) is [1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate.
What is the SMILES notation for [1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate?
The canonical SMILES for [1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate is C=CC(=O)OC1(CCOCC)CC1.
What is the InChIKey of [1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate?
The InChIKey is FOLFCKMLGKHRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-3-9(11)13-10(5-6-10)7-8-12-4-2/h3H,1,4-8H2,2H3.
What are the key properties of [1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate?
[1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate is sourced from PubChem (CID 57237184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).