8-oxa-2-thiaspiro[3.5]nonane

C7H12OS — CID 98012841

IUPAC8-oxa-2-thiaspiro[3.5]nonane
SMILESC1COCC2(C1)CSC2
InChIInChI=1S/C7H12OS/c1-2-7(4-8-3-1)5-9-6-7/h1-6H2
InChIKeySBINPGNNLQNGKN-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.53
Rot. Bonds

About 8-oxa-2-thiaspiro[3.5]nonane

8-oxa-2-thiaspiro[3.5]nonane (PubChem CID 98012841) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 8-oxa-2-thiaspiro[3.5]nonane.

Molecular Properties

Compound Name8-oxa-2-thiaspiro[3.5]nonane
PubChem CID98012841
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name8-oxa-2-thiaspiro[3.5]nonane
SMILESC1COCC2(C1)CSC2
InChIInChI=1S/C7H12OS/c1-2-7(4-8-3-1)5-9-6-7/h1-6H2
InChIKeySBINPGNNLQNGKN-UHFFFAOYSA-N
XLogP1.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-2-thiaspiro[3.5]nonane?
The IUPAC name of 8-oxa-2-thiaspiro[3.5]nonane (CID 98012841) is 8-oxa-2-thiaspiro[3.5]nonane.
What is the SMILES notation for 8-oxa-2-thiaspiro[3.5]nonane?
The canonical SMILES for 8-oxa-2-thiaspiro[3.5]nonane is C1COCC2(C1)CSC2.
What is the InChIKey of 8-oxa-2-thiaspiro[3.5]nonane?
The InChIKey is SBINPGNNLQNGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-2-7(4-8-3-1)5-9-6-7/h1-6H2.
What are the key properties of 8-oxa-2-thiaspiro[3.5]nonane?
8-oxa-2-thiaspiro[3.5]nonane has a molecular weight of 144.24 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-2-thiaspiro[3.5]nonane is sourced from PubChem (CID 98012841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).