ethyl 4-(2,3-dihydrothiophen-3-yl)butanoate

C10H16O2S — CID 146611395

IUPACethyl 4-(2,3-dihydrothiophen-3-yl)butanoate
SMILESCCOC(=O)CCCC1C=CSC1
InChIInChI=1S/C10H16O2S/c1-2-12-10(11)5-3-4-9-6-7-13-8-9/h6-7,9H,2-5,8H2,1H3
InChIKeyLCZLJGXKKMQQBU-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.60
Rot. Bonds5

About ethyl 4-(2,3-dihydrothiophen-3-yl)butanoate

ethyl 4-(2,3-dihydrothiophen-3-yl)butanoate (PubChem CID 146611395) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is ethyl 4-(2,3-dihydrothiophen-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(2,3-dihydrothiophen-3-yl)butanoate
PubChem CID146611395
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Nameethyl 4-(2,3-dihydrothiophen-3-yl)butanoate
SMILESCCOC(=O)CCCC1C=CSC1
InChIInChI=1S/C10H16O2S/c1-2-12-10(11)5-3-4-9-6-7-13-8-9/h6-7,9H,2-5,8H2,1H3
InChIKeyLCZLJGXKKMQQBU-UHFFFAOYSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2,3-dihydrothiophen-3-yl)butanoate?
The IUPAC name of ethyl 4-(2,3-dihydrothiophen-3-yl)butanoate (CID 146611395) is ethyl 4-(2,3-dihydrothiophen-3-yl)butanoate.
What is the SMILES notation for ethyl 4-(2,3-dihydrothiophen-3-yl)butanoate?
The canonical SMILES for ethyl 4-(2,3-dihydrothiophen-3-yl)butanoate is CCOC(=O)CCCC1C=CSC1.
What is the InChIKey of ethyl 4-(2,3-dihydrothiophen-3-yl)butanoate?
The InChIKey is LCZLJGXKKMQQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-2-12-10(11)5-3-4-9-6-7-13-8-9/h6-7,9H,2-5,8H2,1H3.
What are the key properties of ethyl 4-(2,3-dihydrothiophen-3-yl)butanoate?
ethyl 4-(2,3-dihydrothiophen-3-yl)butanoate has a molecular weight of 200.30 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2,3-dihydrothiophen-3-yl)butanoate is sourced from PubChem (CID 146611395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).