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

C9H16O3S — CID 117168917

IUPAC[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESCC1(C2CCCS2)OCC(CO)O1
InChIInChI=1S/C9H16O3S/c1-9(8-3-2-4-13-8)11-6-7(5-10)12-9/h7-8,10H,2-6H2,1H3
InChIKeyJVYOIZXZAAHMSC-UHFFFAOYSA-N
MW204.29 g/mol
LogP1.01
Rot. Bonds2

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

[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol (PubChem CID 117168917) has the molecular formula C9H16O3S and a molecular weight of 204.29 g/mol. Its IUPAC name is [2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol
PubChem CID117168917
Molecular FormulaC9H16O3S
Molecular Weight204.29 g/mol
Exact Mass204.08
IUPAC Name[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol
SMILESCC1(C2CCCS2)OCC(CO)O1
InChIInChI=1S/C9H16O3S/c1-9(8-3-2-4-13-8)11-6-7(5-10)12-9/h7-8,10H,2-6H2,1H3
InChIKeyJVYOIZXZAAHMSC-UHFFFAOYSA-N
XLogP1.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 51.01
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
1-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-(1,3-dithian-2-yl)ethanol
CID 14604460
(1S)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(1,3-dithian-2-yl)ethanol
CID 14604461
(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

Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol (CID 117168917) is [2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol is CC1(C2CCCS2)OCC(CO)O1.
What is the InChIKey of [2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is JVYOIZXZAAHMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3S/c1-9(8-3-2-4-13-8)11-6-7(5-10)12-9/h7-8,10H,2-6H2,1H3.
What are the key properties of [2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol?
[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol has a molecular weight of 204.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 117168917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).