1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol

C13H22O2S — CID 79900020

IUPAC1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
SMILESOC1(C2CCOC3(CCSC3)C2)CCCC1
InChIInChI=1S/C13H22O2S/c14-13(4-1-2-5-13)11-3-7-15-12(9-11)6-8-16-10-12/h11,14H,1-10H2
InChIKeyWGDHBWAUZUTLJP-UHFFFAOYSA-N
MW242.38 g/mol
LogP2.59
Rot. Bonds1

About 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol

1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol (PubChem CID 79900020) has the molecular formula C13H22O2S and a molecular weight of 242.38 g/mol. Its IUPAC name is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
PubChem CID79900020
Molecular FormulaC13H22O2S
Molecular Weight242.38 g/mol
Exact Mass242.13
IUPAC Name1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol
SMILESOC1(C2CCOC3(CCSC3)C2)CCCC1
InChIInChI=1S/C13H22O2S/c14-13(4-1-2-5-13)11-3-7-15-12(9-11)6-8-16-10-12/h11,14H,1-10H2
InChIKeyWGDHBWAUZUTLJP-UHFFFAOYSA-N
XLogP2.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol?
The IUPAC name of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol (CID 79900020) is 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol.
What is the SMILES notation for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol?
The canonical SMILES for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol is OC1(C2CCOC3(CCSC3)C2)CCCC1.
What is the InChIKey of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol?
The InChIKey is WGDHBWAUZUTLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2S/c14-13(4-1-2-5-13)11-3-7-15-12(9-11)6-8-16-10-12/h11,14H,1-10H2.
What are the key properties of 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol?
1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol has a molecular weight of 242.38 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)cyclopentan-1-ol is sourced from PubChem (CID 79900020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).