5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol

C8H14O4S — CID 537466

IUPAC5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)OC2SC(CO)C(O)C2O1
InChIInChI=1S/C8H14O4S/c1-8(2)11-6-5(10)4(3-9)13-7(6)12-8/h4-7,9-10H,3H2,1-2H3
InChIKeyWMPMPQMLGDADLW-UHFFFAOYSA-N
MW206.26 g/mol
LogP-0.07
Rot. Bonds1

About 5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol

5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol (PubChem CID 537466) has the molecular formula C8H14O4S and a molecular weight of 206.26 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol.

Molecular Properties

Compound Name5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol
PubChem CID537466
Molecular FormulaC8H14O4S
Molecular Weight206.26 g/mol
Exact Mass206.06
IUPAC Name5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol
SMILESCC1(C)OC2SC(CO)C(O)C2O1
InChIInChI=1S/C8H14O4S/c1-8(2)11-6-5(10)4(3-9)13-7(6)12-8/h4-7,9-10H,3H2,1-2H3
InChIKeyWMPMPQMLGDADLW-UHFFFAOYSA-N
XLogP-0.07
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol with MolForge

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Related Compounds

(2R,3R,4R,5R)-2-[(1S)-2-[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]sulfanyl-1-hydroxyethyl]-5-methoxyoxolane-3,4-diol
CID 71660297
S-[[(5S,6S,6aS)-6-fluoro-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl] ethanethioate
CID 91539475
[(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
3-S-Acetyl-1,2-O-isopropylidene-3-thioalphad-allofuranose
CID 6420383
(3aR,5S,6R,6aR)-2,2-dimethyl-5-[(2S)-thiiran-2-yl]-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-ol
CID 54539125
((3aS,4R,6aR)-2,2-Dimethyltetrahydrothieno[3,4-d][1,3]dioxol-4-yl)methanol
CID 11063220
(1R)-1-((3aS,4R,6aR)-2,2-dimethyltetrahydrothieno[3,4-d][1,3]dioxol-4-yl)-ethane-1,2-diol
CID 11096141
(1S)-1-[(3aR,4S,6aS)-2,2-dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl]ethane-1,2-diol
CID 16735501
1-(2,2-Dimethyl-3a,4,6,6a-tetrahydrothieno[3,4-d][1,3]dioxol-4-yl)ethane-1,2-diol
CID 18446723
[(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

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol?
The IUPAC name of 5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol (CID 537466) is 5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol.
What is the SMILES notation for 5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol?
The canonical SMILES for 5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol is CC1(C)OC2SC(CO)C(O)C2O1.
What is the InChIKey of 5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol?
The InChIKey is WMPMPQMLGDADLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4S/c1-8(2)11-6-5(10)4(3-9)13-7(6)12-8/h4-7,9-10H,3H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol?
5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol has a molecular weight of 206.26 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrothieno[2,3-d][1,3]dioxol-6-ol is sourced from PubChem (CID 537466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).