1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane

C7H12O2S — CID 537873

IUPAC1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
SMILESCC12COC(C)(CSC1)O2
InChIInChI=1S/C7H12O2S/c1-6-3-8-7(2,9-6)5-10-4-6/h3-5H2,1-2H3
InChIKeyVDWXMNZBEQBESS-UHFFFAOYSA-N
MW160.24 g/mol
LogP1.25
Rot. Bonds

About 1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane

1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane (PubChem CID 537873) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
PubChem CID537873
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
SMILESCC12COC(C)(CSC1)O2
InChIInChI=1S/C7H12O2S/c1-6-3-8-7(2,9-6)5-10-4-6/h3-5H2,1-2H3
InChIKeyVDWXMNZBEQBESS-UHFFFAOYSA-N
XLogP1.25
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxa-8-thiaspiro(4.5)decane
CID 12335978
6,8-Dioxa-3-thiabicyclo[3.2.1]octane
CID 534531
(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
5-Methyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 536590
4,4,5-Trimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
CID 537249
4a,5-Dimethyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 537487
1,5-Dimethyl-2beta-acetoxy-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 537702
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-oxide
CID 538710
4beta,5-Dimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3-oxide
CID 538769
4b-Methyl-6,8-dioxa-3-thia-bicyclo(3,2,1)octane
CID 548286

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane?
The IUPAC name of 1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane (CID 537873) is 1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane.
What is the SMILES notation for 1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane?
The canonical SMILES for 1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane is CC12COC(C)(CSC1)O2.
What is the InChIKey of 1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane?
The InChIKey is VDWXMNZBEQBESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2S/c1-6-3-8-7(2,9-6)5-10-4-6/h3-5H2,1-2H3.
What are the key properties of 1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane?
1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane has a molecular weight of 160.24 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane is sourced from PubChem (CID 537873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).