2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol

C11H20O3S — CID 115802354

IUPAC2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol
SMILESO=S1(=O)CCCCC1C(O)CC1CCC1
InChIInChI=1S/C11H20O3S/c12-10(8-9-4-3-5-9)11-6-1-2-7-15(11,13)14/h9-12H,1-8H2
InChIKeyTVVZAGXKRWXZNQ-UHFFFAOYSA-N
MW232.34 g/mol
LogP1.50
Rot. Bonds3

About 2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol

2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol (PubChem CID 115802354) has the molecular formula C11H20O3S and a molecular weight of 232.34 g/mol. Its IUPAC name is 2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol.

Molecular Properties

Compound Name2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol
PubChem CID115802354
Molecular FormulaC11H20O3S
Molecular Weight232.34 g/mol
Exact Mass232.11
IUPAC Name2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol
SMILESO=S1(=O)CCCCC1C(O)CC1CCC1
InChIInChI=1S/C11H20O3S/c12-10(8-9-4-3-5-9)11-6-1-2-7-15(11,13)14/h9-12H,1-8H2
InChIKeyTVVZAGXKRWXZNQ-UHFFFAOYSA-N
XLogP1.50
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 115840028
1-(1,1-dioxothian-2-yl)-2-methylbutan-1-ol
CID 115823354
1-(1,1-dioxothian-2-yl)prop-2-yn-1-ol
CID 130171214
2-(2,6-difluorophenyl)-1-(1,1-dioxothian-2-yl)ethanol
CID 104522099
1-(azetidin-3-yl)-2-cyclobutylethanol
CID 105430410
1-(1,1-dioxothian-2-yl)-3-methylbut-2-en-1-amine
CID 105004617
1-(1,1-dioxothian-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107065689
2-(3-bromo-5-fluorophenyl)-1-(1,1-dioxothian-2-yl)ethanol
CID 115822685
1-(1,1-dioxothian-2-yl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 115838262
1-cyclobutyl-2-cyclopropylethanol
CID 64986544
1-cyclopentyl-3-(1,1-dioxothiolan-3-yl)propan-2-ol
CID 105090384
N-[cyclohexyl-(1,1-dioxothian-2-yl)methyl]ethanamine
CID 114981214

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol?
The IUPAC name of 2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol (CID 115802354) is 2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol.
What is the SMILES notation for 2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol?
The canonical SMILES for 2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol is O=S1(=O)CCCCC1C(O)CC1CCC1.
What is the InChIKey of 2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol?
The InChIKey is TVVZAGXKRWXZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3S/c12-10(8-9-4-3-5-9)11-6-1-2-7-15(11,13)14/h9-12H,1-8H2.
What are the key properties of 2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol?
2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol has a molecular weight of 232.34 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1-(1,1-dioxothian-2-yl)ethanol is sourced from PubChem (CID 115802354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).