(2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide

C10H20O2S — CID 11287192

IUPAC(2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide
SMILESCC(C)(C)[C@@H]1C[S@@](=O)C(C)(C)CO1
InChIInChI=1S/C10H20O2S/c1-9(2,3)8-6-13(11)10(4,5)7-12-8/h8H,6-7H2,1-5H3/t8-,13+/m0/s1
InChIKeyUTMFAQVHSNLLIT-ISVAXAHUSA-N
MW204.33 g/mol
LogP1.96
Rot. Bonds

About (2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide

(2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide (PubChem CID 11287192) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is (2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide.

Molecular Properties

Compound Name(2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide
PubChem CID11287192
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Name(2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide
SMILESCC(C)(C)[C@@H]1C[S@@](=O)C(C)(C)CO1
InChIInChI=1S/C10H20O2S/c1-9(2,3)8-6-13(11)10(4,5)7-12-8/h8H,6-7H2,1-5H3/t8-,13+/m0/s1
InChIKeyUTMFAQVHSNLLIT-ISVAXAHUSA-N
XLogP1.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-Butyl-2-methyl-1,3-oxathiane
CID 575895
trans-2,6-Dimethyl-2-tert-butyl-1,3-oxathiane
CID 582829
2-Tert-butyl-1,4-oxathiane
CID 20815654
2,6-Diethyl-1,4-oxathiane 4,4-dioxide
CID 21102829
3-Propan-2-yloxythiane 1-oxide
CID 58735228
1-Methylidene-4-[(2-methylpropan-2-yl)oxy]thiane 1-oxide
CID 88885903
Ethane;2-methyl-1,4-oxathiane 4-oxide
CID 90960371
4-Propan-2-yloxythiane 1-oxide
CID 121261745
1-[3-(2,2-Dimethylpropoxy)propylsulfonyl]-3,3-dimethylbutane
CID 131972630
4-(2-Methylbutan-2-yloxy)thiane 1,1-dioxide
CID 139319901
3-Propoxythiane 1-oxide
CID 143420933
4-[(2-Methylpropan-2-yl)oxy]thiane 1-oxide
CID 149288594

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide?
The IUPAC name of (2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide (CID 11287192) is (2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide.
What is the SMILES notation for (2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide?
The canonical SMILES for (2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide is CC(C)(C)[C@@H]1C[S@@](=O)C(C)(C)CO1.
What is the InChIKey of (2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide?
The InChIKey is UTMFAQVHSNLLIT-ISVAXAHUSA-N. The full InChI is InChI=1S/C10H20O2S/c1-9(2,3)8-6-13(11)10(4,5)7-12-8/h8H,6-7H2,1-5H3/t8-,13+/m0/s1.
What are the key properties of (2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide?
(2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide has a molecular weight of 204.33 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-tert-butyl-5,5-dimethyl-1,4-oxathiane 4-oxide is sourced from PubChem (CID 11287192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).