(2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane

C13H26O3S — CID 58561976

IUPAC(2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane
SMILESCC(C)(C)C(C)(C)S(=O)(=O)C[C@H]1CCCCO1
InChIInChI=1S/C13H26O3S/c1-12(2,3)13(4,5)17(14,15)10-11-8-6-7-9-16-11/h11H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyXKBOGDVMNOSYIY-LLVKDONJSA-N
MW262.41 g/mol
LogP2.80
Rot. Bonds3

About (2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane

(2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane (PubChem CID 58561976) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is (2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane.

Molecular Properties

Compound Name(2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane
PubChem CID58561976
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Name(2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane
SMILESCC(C)(C)C(C)(C)S(=O)(=O)C[C@H]1CCCCO1
InChIInChI=1S/C13H26O3S/c1-12(2,3)13(4,5)17(14,15)10-11-8-6-7-9-16-11/h11H,6-10H2,1-5H3/t11-/m1/s1
InChIKeyXKBOGDVMNOSYIY-LLVKDONJSA-N
XLogP2.80
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane?
The IUPAC name of (2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane (CID 58561976) is (2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane.
What is the SMILES notation for (2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane?
The canonical SMILES for (2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane is CC(C)(C)C(C)(C)S(=O)(=O)C[C@H]1CCCCO1.
What is the InChIKey of (2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane?
The InChIKey is XKBOGDVMNOSYIY-LLVKDONJSA-N. The full InChI is InChI=1S/C13H26O3S/c1-12(2,3)13(4,5)17(14,15)10-11-8-6-7-9-16-11/h11H,6-10H2,1-5H3/t11-/m1/s1.
What are the key properties of (2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane?
(2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane has a molecular weight of 262.41 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3,3-trimethylbutan-2-ylsulfonylmethyl)oxane is sourced from PubChem (CID 58561976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).