4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide

C8H14O4S — CID 536515

IUPAC4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide
SMILESCC12OCC(CS(=O)(=O)C1(C)C)O2
InChIInChI=1S/C8H14O4S/c1-7(2)8(3)11-4-6(12-8)5-13(7,9)10/h6H,4-5H2,1-3H3
InChIKeyYEXQPZQKCQKMST-UHFFFAOYSA-N
MW206.26 g/mol
LogP0.32
Rot. Bonds

About 4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide

4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide (PubChem CID 536515) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is 4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide.

Molecular Properties

Compound Name4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide
PubChem CID536515
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide
SMILESCC12OCC(CS(=O)(=O)C1(C)C)O2
InChIInChI=1S/C8H14O4S/c1-7(2)8(3)11-4-6(12-8)5-13(7,9)10/h6H,4-5H2,1-3H3
InChIKeyYEXQPZQKCQKMST-UHFFFAOYSA-N
XLogP0.32
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5R)-4,5-dimethyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide
CID 134892427
4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
CID 537249
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
6,8-Dioxa-3-thiabicyclo(3,2,1)octane 3,3-dioxide
CID 545541
4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
CID 554057
3,3-Diethyl-1,4-dioxa-8lambda6-thiaspiro[4.5]decane 8,8-dioxide
CID 57969407
(1R,5R)-4,4,5-trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
CID 11062911
(5R)-4,4,5-trimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
CID 101158163

Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide?
The IUPAC name of 4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide (CID 536515) is 4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide.
What is the SMILES notation for 4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide?
The canonical SMILES for 4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide is CC12OCC(CS(=O)(=O)C1(C)C)O2.
What is the InChIKey of 4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide?
The InChIKey is YEXQPZQKCQKMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c1-7(2)8(3)11-4-6(12-8)5-13(7,9)10/h6H,4-5H2,1-3H3.
What are the key properties of 4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide?
4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide has a molecular weight of 206.26 g/mol, XLogP of 0.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-6,8-dioxa-3lambda6-thiabicyclo[3.2.1]octane 3,3-dioxide is sourced from PubChem (CID 536515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).