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

C10H18O3S — CID 117168839

IUPAC2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C2CCCS2)OCC(CCO)O1
InChIInChI=1S/C10H18O3S/c1-10(9-3-2-6-14-9)12-7-8(13-10)4-5-11/h8-9,11H,2-7H2,1H3
InChIKeyMAWODHOCZKPOEL-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.40
Rot. Bonds3

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

2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanol (PubChem CID 117168839) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanol.

Molecular Properties

Compound Name2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanol
PubChem CID117168839
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanol
SMILESCC1(C2CCCS2)OCC(CCO)O1
InChIInChI=1S/C10H18O3S/c1-10(9-3-2-6-14-9)12-7-8(13-10)4-5-11/h8-9,11H,2-7H2,1H3
InChIKeyMAWODHOCZKPOEL-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S,4S,5S)-2-(hexylsulfanylmethyl)-5-methoxyoxolane-3,4-diol
CID 24768571
(2R,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol
CID 25022417
(2S,3S,4S,5S)-2-methoxy-5-(octylsulfanylmethyl)oxolane-3,4-diol
CID 25022418
(2S,3S,4S,5R)-2-(hexylsulfanylmethyl)-5-methoxyoxolane-3,4-diol
CID 44576720
(2S,3S,4S,5S)-2-(butylsulfanylmethyl)-5-methoxyoxolane-3,4-diol
CID 44576718
(2S,3S,4S,5R)-2-(butylsulfanylmethyl)-5-methoxyoxolane-3,4-diol
CID 44576719
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propan-1-ol
CID 10858905
(1S)-3-deuterio-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propan-1-ol
CID 134929672
(1S)-2-deuterio-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propan-1-ol
CID 134929673
(1S)-2,3-dideuterio-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3-bis(ethylsulfanyl)propan-1-ol
CID 134929749
[(3aS,6aR)-2,2-diethyl-4-(hydroxymethyl)-6,6a-dihydro-3aH-thieno[3,4-d][1,3]dioxol-4-yl]methanol
CID 162420133
5-(Ethylsulfanylmethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 295502

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanol?
The IUPAC name of 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanol (CID 117168839) is 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanol.
What is the SMILES notation for 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanol?
The canonical SMILES for 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanol is CC1(C2CCCS2)OCC(CCO)O1.
What is the InChIKey of 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanol?
The InChIKey is MAWODHOCZKPOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c1-10(9-3-2-6-14-9)12-7-8(13-10)4-5-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanol?
2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanol has a molecular weight of 218.32 g/mol, XLogP of 1.40, 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-2-yl)-1,3-dioxolan-4-yl]ethanol is sourced from PubChem (CID 117168839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).