(6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one

C9H14O3S — CID 10420391

IUPAC(6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one
SMILESO=C1CCS[C@@]2(C1)C[C@H](O)CCO2
InChIInChI=1S/C9H14O3S/c10-7-1-3-12-9(5-7)6-8(11)2-4-13-9/h7,10H,1-6H2/t7-,9-/m1/s1
InChIKeyYIXIXBKAFIYNSU-VXNVDRBHSA-N
MW202.27 g/mol
LogP0.95
Rot. Bonds

About (6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one

(6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one (PubChem CID 10420391) has the molecular formula C9H14O3S and a molecular weight of 202.27 g/mol. Its IUPAC name is (6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one.

Molecular Properties

Compound Name(6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one
PubChem CID10420391
Molecular FormulaC9H14O3S
Molecular Weight202.27 g/mol
Exact Mass202.07
IUPAC Name(6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one
SMILESO=C1CCS[C@@]2(C1)C[C@H](O)CCO2
InChIInChI=1S/C9H14O3S/c10-7-1-3-12-9(5-7)6-8(11)2-4-13-9/h7,10H,1-6H2/t7-,9-/m1/s1
InChIKeyYIXIXBKAFIYNSU-VXNVDRBHSA-N
XLogP0.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,6R)-6-(1,3-dithian-2-ylmethyl)-4-hydroxyoxan-2-one
CID 11459322
(6R,10R)-10-hydroxy-1,7-dithiaspiro[5.5]undecan-4-one
CID 10013663
7-Oxa-1-thiaspiro[5.5]undecan-10-one
CID 10375187
6-Hydroxy-9-thiabicyclo[3.3.1]nonan-2-one
CID 57368475

Frequently Asked Questions

What is the IUPAC name of (6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one?
The IUPAC name of (6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one (CID 10420391) is (6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one.
What is the SMILES notation for (6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one?
The canonical SMILES for (6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one is O=C1CCS[C@@]2(C1)C[C@H](O)CCO2.
What is the InChIKey of (6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one?
The InChIKey is YIXIXBKAFIYNSU-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H14O3S/c10-7-1-3-12-9(5-7)6-8(11)2-4-13-9/h7,10H,1-6H2/t7-,9-/m1/s1.
What are the key properties of (6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one?
(6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one has a molecular weight of 202.27 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,10R)-10-hydroxy-7-oxa-1-thiaspiro[5.5]undecan-4-one is sourced from PubChem (CID 10420391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).