prop-2-enyl 2,3-dihydrothiophene-2-carboxylate

C8H10O2S — CID 67174971

IUPACprop-2-enyl 2,3-dihydrothiophene-2-carboxylate
SMILESC=CCOC(=O)C1CC=CS1
InChIInChI=1S/C8H10O2S/c1-2-5-10-8(9)7-4-3-6-11-7/h2-3,6-7H,1,4-5H2
InChIKeyZZXDCOGLJVATIQ-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.73
Rot. Bonds3

About prop-2-enyl 2,3-dihydrothiophene-2-carboxylate

prop-2-enyl 2,3-dihydrothiophene-2-carboxylate (PubChem CID 67174971) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is prop-2-enyl 2,3-dihydrothiophene-2-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2,3-dihydrothiophene-2-carboxylate
PubChem CID67174971
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Nameprop-2-enyl 2,3-dihydrothiophene-2-carboxylate
SMILESC=CCOC(=O)C1CC=CS1
InChIInChI=1S/C8H10O2S/c1-2-5-10-8(9)7-4-3-6-11-7/h2-3,6-7H,1,4-5H2
InChIKeyZZXDCOGLJVATIQ-UHFFFAOYSA-N
XLogP1.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.73
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

[(Z)-3-(1-hydroxy-2,2,6-trimethyl-4-oxocyclohexyl)but-2-enyl] 2,3-dihydrothiophene-2-carboxylate
CID 70836100
bis(prop-2-enyl) cyclohexane-1,3-dicarboxylate
CID 22715247
(3Z)-8-prop-2-enoxycarbonylbicyclo[4.2.2]deca-3,9-diene-7-carboxylic acid
CID 68953086
prop-2-enyl 2-chloro-2-hydroxycyclopropane-1-carboxylate
CID 91597791
bis(prop-2-enyl) (1R,2S,3S,4R)-bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 98168327
prop-2-enyl cyclododecanecarboxylate
CID 139624721
4-prop-2-enoxycarbonylcyclohexane-1-carboxylic acid
CID 66952596
prop-2-enyl oxetane-2-carboxylate
CID 174618210
bis(prop-2-enyl) (1R,3S,4S,6S)-7-oxabicyclo[4.1.0]heptane-3,4-dicarboxylate
CID 92525933
prop-2-enyl 2-thiabicyclo[2.2.1]hept-5-ene-3-carboxylate
CID 14660781
prop-2-enyl 4-butylcyclohexane-1-carboxylate
CID 139948297
prop-2-enyl (3aR,6aS)-2-oxo-3,3a,4,6a-tetrahydro-1H-pentalene-1-carboxylate
CID 24767237

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2,3-dihydrothiophene-2-carboxylate?
The IUPAC name of prop-2-enyl 2,3-dihydrothiophene-2-carboxylate (CID 67174971) is prop-2-enyl 2,3-dihydrothiophene-2-carboxylate.
What is the SMILES notation for prop-2-enyl 2,3-dihydrothiophene-2-carboxylate?
The canonical SMILES for prop-2-enyl 2,3-dihydrothiophene-2-carboxylate is C=CCOC(=O)C1CC=CS1.
What is the InChIKey of prop-2-enyl 2,3-dihydrothiophene-2-carboxylate?
The InChIKey is ZZXDCOGLJVATIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c1-2-5-10-8(9)7-4-3-6-11-7/h2-3,6-7H,1,4-5H2.
What are the key properties of prop-2-enyl 2,3-dihydrothiophene-2-carboxylate?
prop-2-enyl 2,3-dihydrothiophene-2-carboxylate has a molecular weight of 170.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2,3-dihydrothiophene-2-carboxylate is sourced from PubChem (CID 67174971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).