1-oxa-6-thiaspiro[2.5]octane

C6H10OS — CID 18753101

IUPAC1-oxa-6-thiaspiro[2.5]octane
SMILESC1CC2(CCS1)CO2
InChIInChI=1S/C6H10OS/c1-3-8-4-2-6(1)5-7-6/h1-5H2
InChIKeyKMGXFPRSMVDSEC-UHFFFAOYSA-N
MW130.21 g/mol
LogP1.28
Rot. Bonds

About 1-oxa-6-thiaspiro[2.5]octane

1-oxa-6-thiaspiro[2.5]octane (PubChem CID 18753101) has the molecular formula C6H10OS and a molecular weight of 130.21 g/mol. Its IUPAC name is 1-oxa-6-thiaspiro[2.5]octane.

Molecular Properties

Compound Name1-oxa-6-thiaspiro[2.5]octane
PubChem CID18753101
Molecular FormulaC6H10OS
Molecular Weight130.21 g/mol
Exact Mass130.05
IUPAC Name1-oxa-6-thiaspiro[2.5]octane
SMILESC1CC2(CCS1)CO2
InChIInChI=1S/C6H10OS/c1-3-8-4-2-6(1)5-7-6/h1-5H2
InChIKeyKMGXFPRSMVDSEC-UHFFFAOYSA-N
XLogP1.28
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-oxa-6-thiaspiro[2.5]octane?
The IUPAC name of 1-oxa-6-thiaspiro[2.5]octane (CID 18753101) is 1-oxa-6-thiaspiro[2.5]octane.
What is the SMILES notation for 1-oxa-6-thiaspiro[2.5]octane?
The canonical SMILES for 1-oxa-6-thiaspiro[2.5]octane is C1CC2(CCS1)CO2.
What is the InChIKey of 1-oxa-6-thiaspiro[2.5]octane?
The InChIKey is KMGXFPRSMVDSEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10OS/c1-3-8-4-2-6(1)5-7-6/h1-5H2.
What are the key properties of 1-oxa-6-thiaspiro[2.5]octane?
1-oxa-6-thiaspiro[2.5]octane has a molecular weight of 130.21 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-6-thiaspiro[2.5]octane is sourced from PubChem (CID 18753101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).