4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol

C13H22O3S — CID 79898561

IUPAC4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
SMILESOC1(C2CCOC3(CCSC3)C2)CCOCC1
InChIInChI=1S/C13H22O3S/c14-13(2-6-15-7-3-13)11-1-5-16-12(9-11)4-8-17-10-12/h11,14H,1-10H2
InChIKeySHHLHQSOHUHPAP-UHFFFAOYSA-N
MW258.38 g/mol
LogP1.83
Rot. Bonds1

About 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol

4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol (PubChem CID 79898561) has the molecular formula C13H22O3S and a molecular weight of 258.38 g/mol. Its IUPAC name is 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol.

Molecular Properties

Compound Name4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
PubChem CID79898561
Molecular FormulaC13H22O3S
Molecular Weight258.38 g/mol
Exact Mass258.13
IUPAC Name4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol
SMILESOC1(C2CCOC3(CCSC3)C2)CCOCC1
InChIInChI=1S/C13H22O3S/c14-13(2-6-15-7-3-13)11-1-5-16-12(9-11)4-8-17-10-12/h11,14H,1-10H2
InChIKeySHHLHQSOHUHPAP-UHFFFAOYSA-N
XLogP1.83
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol?
The IUPAC name of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol (CID 79898561) is 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol.
What is the SMILES notation for 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol?
The canonical SMILES for 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol is OC1(C2CCOC3(CCSC3)C2)CCOCC1.
What is the InChIKey of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol?
The InChIKey is SHHLHQSOHUHPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3S/c14-13(2-6-15-7-3-13)11-1-5-16-12(9-11)4-8-17-10-12/h11,14H,1-10H2.
What are the key properties of 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol?
4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol has a molecular weight of 258.38 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxa-2-thiaspiro[4.5]decan-9-yl)oxan-4-ol is sourced from PubChem (CID 79898561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).