(3R)-3-(2-tert-butylsulfonylethyl)oxolane

C10H20O3S — CID 70897065

IUPAC(3R)-3-(2-tert-butylsulfonylethyl)oxolane
SMILESCC(C)(C)S(=O)(=O)CC[C@H]1CCOC1
InChIInChI=1S/C10H20O3S/c1-10(2,3)14(11,12)7-5-9-4-6-13-8-9/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyQQJMJDFQNMHVOM-SECBINFHSA-N
MW220.33 g/mol
LogP1.63
Rot. Bonds3

About (3R)-3-(2-tert-butylsulfonylethyl)oxolane

(3R)-3-(2-tert-butylsulfonylethyl)oxolane (PubChem CID 70897065) has the molecular formula C10H20O3S and a molecular weight of 220.33 g/mol. Its IUPAC name is (3R)-3-(2-tert-butylsulfonylethyl)oxolane.

Molecular Properties

Compound Name(3R)-3-(2-tert-butylsulfonylethyl)oxolane
PubChem CID70897065
Molecular FormulaC10H20O3S
Molecular Weight220.33 g/mol
Exact Mass220.11
IUPAC Name(3R)-3-(2-tert-butylsulfonylethyl)oxolane
SMILESCC(C)(C)S(=O)(=O)CC[C@H]1CCOC1
InChIInChI=1S/C10H20O3S/c1-10(2,3)14(11,12)7-5-9-4-6-13-8-9/h9H,4-8H2,1-3H3/t9-/m1/s1
InChIKeyQQJMJDFQNMHVOM-SECBINFHSA-N
XLogP1.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-tert-butylsulfonylethyl)oxolane?
The IUPAC name of (3R)-3-(2-tert-butylsulfonylethyl)oxolane (CID 70897065) is (3R)-3-(2-tert-butylsulfonylethyl)oxolane.
What is the SMILES notation for (3R)-3-(2-tert-butylsulfonylethyl)oxolane?
The canonical SMILES for (3R)-3-(2-tert-butylsulfonylethyl)oxolane is CC(C)(C)S(=O)(=O)CC[C@H]1CCOC1.
What is the InChIKey of (3R)-3-(2-tert-butylsulfonylethyl)oxolane?
The InChIKey is QQJMJDFQNMHVOM-SECBINFHSA-N. The full InChI is InChI=1S/C10H20O3S/c1-10(2,3)14(11,12)7-5-9-4-6-13-8-9/h9H,4-8H2,1-3H3/t9-/m1/s1.
What are the key properties of (3R)-3-(2-tert-butylsulfonylethyl)oxolane?
(3R)-3-(2-tert-butylsulfonylethyl)oxolane has a molecular weight of 220.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-tert-butylsulfonylethyl)oxolane is sourced from PubChem (CID 70897065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).