3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran

C11H20OS — CID 135224174

IUPAC3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran
SMILESCCSC(C)C1=C(C(C)C)COC1
InChIInChI=1S/C11H20OS/c1-5-13-9(4)11-7-12-6-10(11)8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyMNJXNNATVOLCPX-UHFFFAOYSA-N
MW200.35 g/mol
LogP3.11
Rot. Bonds4

About 3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran

3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran (PubChem CID 135224174) has the molecular formula C11H20OS and a molecular weight of 200.35 g/mol. Its IUPAC name is 3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran.

Molecular Properties

Compound Name3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran
PubChem CID135224174
Molecular FormulaC11H20OS
Molecular Weight200.35 g/mol
Exact Mass200.12
IUPAC Name3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran
SMILESCCSC(C)C1=C(C(C)C)COC1
InChIInChI=1S/C11H20OS/c1-5-13-9(4)11-7-12-6-10(11)8(2)3/h8-9H,5-7H2,1-4H3
InChIKeyMNJXNNATVOLCPX-UHFFFAOYSA-N
XLogP3.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.35
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran?
The IUPAC name of 3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran (CID 135224174) is 3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran.
What is the SMILES notation for 3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran?
The canonical SMILES for 3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran is CCSC(C)C1=C(C(C)C)COC1.
What is the InChIKey of 3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran?
The InChIKey is MNJXNNATVOLCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20OS/c1-5-13-9(4)11-7-12-6-10(11)8(2)3/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran?
3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran has a molecular weight of 200.35 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylsulfanylethyl)-4-propan-2-yl-2,5-dihydrofuran is sourced from PubChem (CID 135224174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).