ethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate

C10H14O3 — CID 10797502

IUPACethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(C)C1CC(C(=O)OCC)=CO1
InChIInChI=1S/C10H14O3/c1-4-12-10(11)8-5-9(7(2)3)13-6-8/h6,9H,2,4-5H2,1,3H3
InChIKeyXEILZYTYHGZSCY-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.80
Rot. Bonds3

About ethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate

ethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate (PubChem CID 10797502) has the molecular formula C10H14O3 and a molecular weight of 182.22 g/mol. Its IUPAC name is ethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
PubChem CID10797502
Molecular FormulaC10H14O3
Molecular Weight182.22 g/mol
Exact Mass182.09
IUPAC Nameethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate
SMILESC=C(C)C1CC(C(=O)OCC)=CO1
InChIInChI=1S/C10H14O3/c1-4-12-10(11)8-5-9(7(2)3)13-6-8/h6,9H,2,4-5H2,1,3H3
InChIKeyXEILZYTYHGZSCY-UHFFFAOYSA-N
XLogP1.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylic acid
CID 93493214
ethyl 2-hydroxy-3,4-dihydro-2H-pyran-5-carboxylate
CID 130127330
ethyl (4S,9aS)-9a-methyl-2,7-dioxo-4-prop-1-en-2-yl-4,5,8,9-tetrahydro-3H-1-benzoxepine-6-carboxylate
CID 101179230
ethyl (3R,4S,5R)-3,4,5-trihydroxy(113C)cyclohexene-1-carboxylate
CID 10632002
ethyl (3S,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate
CID 101471036
ethyl (1S,5R,6R)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate
CID 11694013
diethyl cyclohepta-2,7-diene-1,2-dicarboxylate
CID 66809712
ethyl cycloundecene-1-carboxylate
CID 154164177
ethyl 4a,7a-dihydro-4H-furo[2,3-e]oxazine-3-carboxylate
CID 13033998
ethyl cyclopenta-1,3-diene-1-carboxylate
CID 175029931
lithium 5-ethoxycarbonyl-3,6-dihydro-2H-pyran-2-carboxylate
CID 137372196
ethyl 5-methyl-2-(1-phenylethenyl)-2,3-dihydrofuran-4-carboxylate
CID 102469883

Frequently Asked Questions

What is the IUPAC name of ethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The IUPAC name of ethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate (CID 10797502) is ethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate.
What is the SMILES notation for ethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The canonical SMILES for ethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate is C=C(C)C1CC(C(=O)OCC)=CO1.
What is the InChIKey of ethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
The InChIKey is XEILZYTYHGZSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3/c1-4-12-10(11)8-5-9(7(2)3)13-6-8/h6,9H,2,4-5H2,1,3H3.
What are the key properties of ethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate?
ethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate has a molecular weight of 182.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-prop-1-en-2-yl-2,3-dihydrofuran-4-carboxylate is sourced from PubChem (CID 10797502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).