4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane

C6H10O2S — CID 548286

IUPAC4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
SMILESCC1SCC2COC1O2
InChIInChI=1S/C6H10O2S/c1-4-6-7-2-5(8-6)3-9-4/h4-6H,2-3H2,1H3
InChIKeyOTTBWHWCIUNADD-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.86
Rot. Bonds

About 4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane

4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane (PubChem CID 548286) has the molecular formula C6H10O2S and a molecular weight of 146.21 g/mol. Its IUPAC name is 4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane.

Molecular Properties

Compound Name4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
PubChem CID548286
Molecular FormulaC6H10O2S
Molecular Weight146.21 g/mol
Exact Mass146.04
IUPAC Name4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane
SMILESCC1SCC2COC1O2
InChIInChI=1S/C6H10O2S/c1-4-6-7-2-5(8-6)3-9-4/h4-6H,2-3H2,1H3
InChIKeyOTTBWHWCIUNADD-UHFFFAOYSA-N
XLogP0.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dioxolane, 4-methyl-2-[2-(methylthio)ethyl]-
CID 100927
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
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
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
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
4-(Ethylsulfanylmethyl)-1,3-dioxolane
CID 12032631

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane?
The IUPAC name of 4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane (CID 548286) is 4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane.
What is the SMILES notation for 4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane?
The canonical SMILES for 4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane is CC1SCC2COC1O2.
What is the InChIKey of 4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane?
The InChIKey is OTTBWHWCIUNADD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2S/c1-4-6-7-2-5(8-6)3-9-4/h4-6H,2-3H2,1H3.
What are the key properties of 4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane?
4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane has a molecular weight of 146.21 g/mol, XLogP of 0.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,8-dioxa-3-thiabicyclo[3.2.1]octane is sourced from PubChem (CID 548286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).