2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol

C10H18O3S — CID 117168349

IUPAC2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C2CCSC2)OCC(CCO)O1
InChIInChI=1S/C10H18O3S/c1-10(8-3-5-14-7-8)12-6-9(13-10)2-4-11/h8-9,11H,2-7H2,1H3
InChIKeyOWFYLEOZXJZUDJ-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.25
Rot. Bonds3

About 2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol

2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol (PubChem CID 117168349) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol
PubChem CID117168349
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C2CCSC2)OCC(CCO)O1
InChIInChI=1S/C10H18O3S/c1-10(8-3-5-14-7-8)12-6-9(13-10)2-4-11/h8-9,11H,2-7H2,1H3
InChIKeyOWFYLEOZXJZUDJ-UHFFFAOYSA-N
XLogP1.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dioxolane-4-methanol, 2-(2-(ethylthio)-1-methylethyl)-2-methyl-
CID 56942
1,3-Dioxolane-4-methanol, 2-methyl-2-(1-methyl-2-(propylthio)ethyl)-
CID 56943
[(3aS,6aR)-2,2-diethyl-4-(hydroxymethyl)-6,6a-dihydro-3aH-thieno[3,4-d][1,3]dioxol-4-yl]methanol
CID 162420133
((3aS,4R,6aR)-2,2-Dimethyltetrahydrothieno[3,4-d][1,3]dioxol-4-yl)methanol
CID 11063220
5-(Diethoxymethyl)-4-(hydroxymethyl)thiolan-3-ol
CID 20364814
9-Hydroxymethyl-9-methyl-1,4-dioxa-7-thiaspiro[4.4]nonane
CID 21276502
[(3aR,4S,6aS)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methanol
CID 29928061
[(3aR,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methanol
CID 29928067
(2,2-Dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl)methanol
CID 45358189
(3-Methyl-1,4-dioxa-7-thiaspiro[4.4]nonan-9-yl)methanol
CID 70396306
[(3aS,4S,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]methanol
CID 130945083
[(3aS,6aR)-4-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-thieno[3,4-d][1,3]dioxol-4-yl]methanol
CID 146347429

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol (CID 117168349) is 2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol is CC1(C2CCSC2)OCC(CCO)O1.
What is the InChIKey of 2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol?
The InChIKey is OWFYLEOZXJZUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-10(8-3-5-14-7-8)12-6-9(13-10)2-4-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol?
2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol has a molecular weight of 218.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(thiolan-3-yl)-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117168349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).