2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol

C14H24O4S — CID 105112720

IUPAC2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
SMILESO=S1(=O)CCC(CC(O)C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C14H24O4S/c15-13(8-11-3-7-19(16,17)10-11)12-2-6-18-14(9-12)4-1-5-14/h11-13,15H,1-10H2
InChIKeyWVAOPXYYIGSYMH-UHFFFAOYSA-N
MW288.41 g/mol
LogP1.52
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol

2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol (PubChem CID 105112720) has the molecular formula C14H24O4S and a molecular weight of 288.41 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
PubChem CID105112720
Molecular FormulaC14H24O4S
Molecular Weight288.41 g/mol
Exact Mass288.14
IUPAC Name2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol
SMILESO=S1(=O)CCC(CC(O)C2CCOC3(CCC3)C2)C1
InChIInChI=1S/C14H24O4S/c15-13(8-11-3-7-19(16,17)10-11)12-2-6-18-14(9-12)4-1-5-14/h11-13,15H,1-10H2
InChIKeyWVAOPXYYIGSYMH-UHFFFAOYSA-N
XLogP1.52
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)ethanamine
CID 105170225
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79920851
3-cyclopentyl-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-ol
CID 115823243
(1,1-dioxothiolan-3-yl)-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)methanol
CID 115336503
1-(1,1-dioxothiolan-3-yl)-N-methyl-1-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 115336779
1-(5-oxaspiro[3.5]nonan-8-yl)butane-1,2-diol
CID 103454715
1-(6-oxaspiro[4.5]decan-9-yl)-2-(propylamino)ethanol
CID 79924322
2-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-ol
CID 79901248
1-(6-oxaspiro[4.5]decan-9-yl)hexan-1-ol
CID 79912927
1-(1-oxaspiro[5.5]undecan-4-yl)-2-phenylethanol
CID 79913390
1-(6-oxaspiro[4.5]decan-9-yl)heptan-1-ol
CID 79913392
cyclopropyl(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 79912354

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol (CID 105112720) is 2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol is O=S1(=O)CCC(CC(O)C2CCOC3(CCC3)C2)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol?
The InChIKey is WVAOPXYYIGSYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4S/c15-13(8-11-3-7-19(16,17)10-11)12-2-6-18-14(9-12)4-1-5-14/h11-13,15H,1-10H2.
What are the key properties of 2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol?
2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol has a molecular weight of 288.41 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)-1-(5-oxaspiro[3.5]nonan-8-yl)ethanol is sourced from PubChem (CID 105112720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).