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

C6H10O3S — CID 538710

IUPAC5-methyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide
SMILESCC12CS(=O)CC(CO1)O2
InChIInChI=1S/C6H10O3S/c1-6-4-10(7)3-5(9-6)2-8-6/h5H,2-4H2,1H3
InChIKeyUDACWWYDFFSTMP-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.12
Rot. Bonds

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

5-methyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide (PubChem CID 538710) has the molecular formula C6H10O3S and a molecular weight of 162.21 g/mol. Its IUPAC name is 5-methyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide.

Molecular Properties

Compound Name5-methyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide
PubChem CID538710
Molecular FormulaC6H10O3S
Molecular Weight162.21 g/mol
Exact Mass162.04
IUPAC Name5-methyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide
SMILESCC12CS(=O)CC(CO1)O2
InChIInChI=1S/C6H10O3S/c1-6-4-10(7)3-5(9-6)2-8-6/h5H,2-4H2,1H3
InChIKeyUDACWWYDFFSTMP-UHFFFAOYSA-N
XLogP-0.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Dioxa-8lambda4-thiaspiro(4.5)decan-8-one
CID 13273782
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
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
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-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
4b,5-Dimethyl-6,8-dioxa-3-thiabicyclo(3,2,1)octane 3,3-dioxide
CID 538722

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide?
The IUPAC name of 5-methyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide (CID 538710) is 5-methyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide.
What is the SMILES notation for 5-methyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide?
The canonical SMILES for 5-methyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide is CC12CS(=O)CC(CO1)O2.
What is the InChIKey of 5-methyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide?
The InChIKey is UDACWWYDFFSTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O3S/c1-6-4-10(7)3-5(9-6)2-8-6/h5H,2-4H2,1H3.
What are the key properties of 5-methyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide?
5-methyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide has a molecular weight of 162.21 g/mol, XLogP of -0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6,8-dioxa-3lambda4-thiabicyclo[3.2.1]octane 3-oxide is sourced from PubChem (CID 538710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).