[2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol

C10H16O3S — CID 165387213

IUPAC[2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol
SMILESCC1(C)C(=C=CS(C)(=O)=O)CC1CO
InChIInChI=1S/C10H16O3S/c1-10(2)8(6-9(10)7-11)4-5-14(3,12)13/h5,9,11H,6-7H2,1-3H3
InChIKeyHRZKOGUCXGSLIX-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.11
Rot. Bonds2

About [2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol

[2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol (PubChem CID 165387213) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is [2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol.

Molecular Properties

Compound Name[2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol
PubChem CID165387213
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Name[2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol
SMILESCC1(C)C(=C=CS(C)(=O)=O)CC1CO
InChIInChI=1S/C10H16O3S/c1-10(2)8(6-9(10)7-11)4-5-14(3,12)13/h5,9,11H,6-7H2,1-3H3
InChIKeyHRZKOGUCXGSLIX-UHFFFAOYSA-N
XLogP1.11
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol?
The IUPAC name of [2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol (CID 165387213) is [2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol.
What is the SMILES notation for [2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol?
The canonical SMILES for [2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol is CC1(C)C(=C=CS(C)(=O)=O)CC1CO.
What is the InChIKey of [2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol?
The InChIKey is HRZKOGUCXGSLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S/c1-10(2)8(6-9(10)7-11)4-5-14(3,12)13/h5,9,11H,6-7H2,1-3H3.
What are the key properties of [2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol?
[2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol has a molecular weight of 216.30 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-3-(2-methylsulfonylethenylidene)cyclobutyl]methanol is sourced from PubChem (CID 165387213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).