1-oxa-7-thiaspiro[4.4]nonan-2-one

C7H10O2S — CID 103439747

IUPAC1-oxa-7-thiaspiro[4.4]nonan-2-one
SMILESO=C1CCC2(CCSC2)O1
InChIInChI=1S/C7H10O2S/c8-6-1-2-7(9-6)3-4-10-5-7/h1-5H2
InChIKeyLXICXTFINPMDMQ-UHFFFAOYSA-N
MW158.22 g/mol
LogP1.20
Rot. Bonds

About 1-oxa-7-thiaspiro[4.4]nonan-2-one

1-oxa-7-thiaspiro[4.4]nonan-2-one (PubChem CID 103439747) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is 1-oxa-7-thiaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name1-oxa-7-thiaspiro[4.4]nonan-2-one
PubChem CID103439747
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Name1-oxa-7-thiaspiro[4.4]nonan-2-one
SMILESO=C1CCC2(CCSC2)O1
InChIInChI=1S/C7H10O2S/c8-6-1-2-7(9-6)3-4-10-5-7/h1-5H2
InChIKeyLXICXTFINPMDMQ-UHFFFAOYSA-N
XLogP1.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Oxa-8-thiaspiro[4.5]decan-2-one
CID 103439824
3-Ethyl-3-methyl-1-oxa-7-thiaspiro[4.4]nonan-2-one
CID 144423695
3,3,6-Trimethyl-7-oxo-1-oxa-7lambda4-thiaspiro[4.4]nonan-2-one
CID 163542576
3-Methyl-5-oxa-2-thiaspiro[3.4]octan-6-one
CID 164031429
8-Methyl-2-oxa-7-thiaspiro[4.4]nonane-1,3-dione
CID 79941886
8-Methyl-1-oxa-7-thiaspiro[4.4]nonan-2-one
CID 103439707
1-Oxa-7-thiaspiro[4.5]decan-2-one
CID 103439760
7,7-Dioxo-1-oxa-7lambda6-thiaspiro[4.4]nonan-2-one
CID 103439763
6-Methyl-1-oxa-7-thiaspiro[4.4]nonan-2-one
CID 108425277
3-(Thiolan-2-yl)oxolane-2,5-dione
CID 154235128
3-(2,2-Dimethylthiolan-3-yl)oxolane-2,5-dione
CID 165606200
3-(Thiolan-3-yl)oxolane-2,5-dione
CID 165609920

Frequently Asked Questions

What is the IUPAC name of 1-oxa-7-thiaspiro[4.4]nonan-2-one?
The IUPAC name of 1-oxa-7-thiaspiro[4.4]nonan-2-one (CID 103439747) is 1-oxa-7-thiaspiro[4.4]nonan-2-one.
What is the SMILES notation for 1-oxa-7-thiaspiro[4.4]nonan-2-one?
The canonical SMILES for 1-oxa-7-thiaspiro[4.4]nonan-2-one is O=C1CCC2(CCSC2)O1.
What is the InChIKey of 1-oxa-7-thiaspiro[4.4]nonan-2-one?
The InChIKey is LXICXTFINPMDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c8-6-1-2-7(9-6)3-4-10-5-7/h1-5H2.
What are the key properties of 1-oxa-7-thiaspiro[4.4]nonan-2-one?
1-oxa-7-thiaspiro[4.4]nonan-2-one has a molecular weight of 158.22 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-7-thiaspiro[4.4]nonan-2-one is sourced from PubChem (CID 103439747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).