[2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol

C10H18O3S — CID 115094471

IUPAC[2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1COC(CC2CCSCC2)O1
InChIInChI=1S/C10H18O3S/c11-6-9-7-12-10(13-9)5-8-1-3-14-4-2-8/h8-11H,1-7H2
InChIKeyRMGFJTHNKFKEMI-UHFFFAOYSA-N
MW218.32 g/mol
LogP1.25
Rot. Bonds3

About [2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol

[2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol (PubChem CID 115094471) has the molecular formula C10H18O3S and a molecular weight of 218.32 g/mol. Its IUPAC name is [2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol.

Molecular Properties

Compound Name[2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol
PubChem CID115094471
Molecular FormulaC10H18O3S
Molecular Weight218.32 g/mol
Exact Mass218.10
IUPAC Name[2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol
SMILESOCC1COC(CC2CCSCC2)O1
InChIInChI=1S/C10H18O3S/c11-6-9-7-12-10(13-9)5-8-1-3-14-4-2-8/h8-11H,1-7H2
InChIKeyRMGFJTHNKFKEMI-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

(2S,3S,4S,5S)-4-(1,3-dithian-2-yl)-5-(hydroxymethyl)-2-methoxyoxolan-3-ol
CID 134985915
[(6R,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol
CID 102211463
[(6S,10R)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol
CID 102211465
5-(Diethoxymethyl)-4-(hydroxymethyl)thiolan-3-ol
CID 20364814
2,2,7-trimethyl-4,6,7,7a-tetrahydro-3aH-thiopyrano[3,4-d][1,3]dioxol-4-ol
CID 124112948
2-(1,3-dithian-2-yl)-1-[(4S)-2-methyl-1,3-dioxolan-4-yl]ethanol;ethane
CID 142088113
1,4-Dioxa-8-thiaspiro[4.5]decan-6-ylmethanol
CID 10987066
(2R,3S,4S)-1-[(2S)-2-hydroxy-2-[(4S,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]ethyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol chloride
CID 86342870
(2R,3S,4S)-1-[(2S)-2-hydroxy-2-[(4S,5R)-5-hydroxy-2-methyl-1,3-dioxan-4-yl]ethyl]-2-(hydroxymethyl)thiolan-1-ium-3,4-diol
CID 86342871
[(6S,10S)-6-(hydroxymethyl)-1,4-dioxa-8-thiaspiro[4.5]decan-10-yl]methanol
CID 102211464
[2-(Thiolan-3-yl)-1,3-dioxolan-4-yl]methanol
CID 115094409
[2-(1,1-Dioxothian-4-yl)-1,3-dioxolan-4-yl]methanol
CID 115094427

Frequently Asked Questions

What is the IUPAC name of [2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The IUPAC name of [2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol (CID 115094471) is [2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol.
What is the SMILES notation for [2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The canonical SMILES for [2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol is OCC1COC(CC2CCSCC2)O1.
What is the InChIKey of [2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol?
The InChIKey is RMGFJTHNKFKEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3S/c11-6-9-7-12-10(13-9)5-8-1-3-14-4-2-8/h8-11H,1-7H2.
What are the key properties of [2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol?
[2-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol 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-(thian-4-ylmethyl)-1,3-dioxolan-4-yl]methanol is sourced from PubChem (CID 115094471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).