methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate

C10H16O3S — CID 106942420

IUPACmethyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
SMILESCOC(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C10H16O3S/c1-12-9(11)8-2-4-13-10(6-8)3-5-14-7-10/h8H,2-7H2,1H3
InChIKeyGLMRGIYZIQYTIN-UHFFFAOYSA-N
MW216.30 g/mol
LogP1.46
Rot. Bonds1

About methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate

methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate (PubChem CID 106942420) has the molecular formula C10H16O3S and a molecular weight of 216.30 g/mol. Its IUPAC name is methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate.

Molecular Properties

Compound Namemethyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
PubChem CID106942420
Molecular FormulaC10H16O3S
Molecular Weight216.30 g/mol
Exact Mass216.08
IUPAC Namemethyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate
SMILESCOC(=O)C1CCOC2(CCSC2)C1
InChIInChI=1S/C10H16O3S/c1-12-9(11)8-2-4-13-10(6-8)3-5-14-7-10/h8H,2-7H2,1H3
InChIKeyGLMRGIYZIQYTIN-UHFFFAOYSA-N
XLogP1.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)cyclohexane-1-carboxylate
CID 114450574
(2,2-dimethylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 107003974
(2-methylcyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79921070
(1-aminocyclopropyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116576726
(3-ethylcyclohexyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 79920973
3-(tert-butylamino)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 116558037
(1,1-dioxothiolan-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 113289668
2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 115788152
3-amino-2-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propan-1-one
CID 116564639
(4-methoxypyrrolidin-2-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 116560737
(6-methoxypyridazin-3-yl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
CID 103373092
4-amino-4-methyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)pentan-1-one
CID 116571485

Frequently Asked Questions

What is the IUPAC name of methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate?
The IUPAC name of methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate (CID 106942420) is methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate.
What is the SMILES notation for methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate?
The canonical SMILES for methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate is COC(=O)C1CCOC2(CCSC2)C1.
What is the InChIKey of methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate?
The InChIKey is GLMRGIYZIQYTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3S/c1-12-9(11)8-2-4-13-10(6-8)3-5-14-7-10/h8H,2-7H2,1H3.
What are the key properties of methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate?
methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate has a molecular weight of 216.30 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-oxa-2-thiaspiro[4.5]decane-9-carboxylate is sourced from PubChem (CID 106942420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).