methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate

C12H20O4S — CID 79913062

IUPACmethyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate
SMILESCOC(=O)C(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H20O4S/c1-15-11(14)10(13)9-2-5-16-12(8-9)3-6-17-7-4-12/h9-10,13H,2-8H2,1H3
InChIKeyUUSMZBZSCAZDQU-UHFFFAOYSA-N
MW260.35 g/mol
LogP1.21
Rot. Bonds2

About methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate

methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate (PubChem CID 79913062) has the molecular formula C12H20O4S and a molecular weight of 260.35 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate
PubChem CID79913062
Molecular FormulaC12H20O4S
Molecular Weight260.35 g/mol
Exact Mass260.11
IUPAC Namemethyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate
SMILESCOC(=O)C(O)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C12H20O4S/c1-15-11(14)10(13)9-2-5-16-12(8-9)3-6-17-7-4-12/h9-10,13H,2-8H2,1H3
InChIKeyUUSMZBZSCAZDQU-UHFFFAOYSA-N
XLogP1.21
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-2-(1-oxaspiro[5.5]undecan-4-yl)acetate
CID 79912845
2,2-dimethoxy-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79912513
dimethyl 2-(1,9-dioxaspiro[5.5]undecan-4-yl)propanedioate
CID 103972495
methyl 2-amino-2-(2,6-dioxaspiro[4.5]decan-9-yl)acetate
CID 79905755
3-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-ol
CID 103027641
N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanamine
CID 79914536
(3-methylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 79913976
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79915157
2-methoxy-3-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 116719811
2-(ethylamino)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 79924056
(1R)-2,2,2-trifluoro-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethanol
CID 113404900
(4,4-dimethylcyclohexyl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanamine
CID 79910538

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate (CID 79913062) is methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate is COC(=O)C(O)C1CCOC2(CCSCC2)C1.
What is the InChIKey of methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate?
The InChIKey is UUSMZBZSCAZDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O4S/c1-15-11(14)10(13)9-2-5-16-12(8-9)3-6-17-7-4-12/h9-10,13H,2-8H2,1H3.
What are the key properties of methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate?
methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate has a molecular weight of 260.35 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)acetate is sourced from PubChem (CID 79913062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).