4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide

C8H14O3S — CID 537249

IUPAC4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide
SMILESCC12OCC(CS(=O)C1(C)C)O2
InChIInChI=1S/C8H14O3S/c1-7(2)8(3)10-4-6(11-8)5-12(7)9/h6H,4-5H2,1-3H3
InChIKeyWCYBDUVWUKXNIO-UHFFFAOYSA-N
MW190.26 g/mol
LogP0.66
Rot. Bonds

About 4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide

4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide (PubChem CID 537249) has the molecular formula C8H14O3S and a molecular weight of 190.26 g/mol. Its IUPAC name is 4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide.

Molecular Properties

Compound Name4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide
PubChem CID537249
Molecular FormulaC8H14O3S
Molecular Weight190.26 g/mol
Exact Mass190.07
IUPAC Name4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide
SMILESCC12OCC(CS(=O)C1(C)C)O2
InChIInChI=1S/C8H14O3S/c1-7(2)8(3)10-4-6(11-8)5-12(7)9/h6H,4-5H2,1-3H3
InChIKeyWCYBDUVWUKXNIO-UHFFFAOYSA-N
XLogP0.66
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,5R)-4,5-dimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide
CID 134892427
4-Methyl-5-athyl-6.8-dioxa-3-thia-bicyclo-[3.2.1]-octan
CID 129628576
4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3,3-dioxide
CID 536515
5-Methyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 536590
4a,5-Dimethyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 537487
1,5-Dimethyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 537873
1,5-Dimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
CID 537883
5-Methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane 3,3-dioxide
CID 538691
5-Methyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
CID 538710
4b,5-Dimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3,3-dioxide
CID 538722
4beta,5-Dimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
CID 538769
4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
CID 554057

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide?
The IUPAC name of 4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide (CID 537249) is 4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide.
What is the SMILES notation for 4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide?
The canonical SMILES for 4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide is CC12OCC(CS(=O)C1(C)C)O2.
What is the InChIKey of 4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide?
The InChIKey is WCYBDUVWUKXNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3S/c1-7(2)8(3)10-4-6(11-8)5-12(7)9/h6H,4-5H2,1-3H3.
What are the key properties of 4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide?
4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide has a molecular weight of 190.26 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide is sourced from PubChem (CID 537249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).