4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol

C15H26O5S2 — CID 577221

IUPAC4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol
SMILESCC1(C)OCC(C2OC(C)(C)OC(C3SCCCS3)C2O)O1
InChIInChI=1S/C15H26O5S2/c1-14(2)17-8-9(18-14)11-10(16)12(20-15(3,4)19-11)13-21-6-5-7-22-13/h9-13,16H,5-8H2,1-4H3
InChIKeyITFSPTRTTXVAIJ-UHFFFAOYSA-N
MW350.50 g/mol
LogP2.22
Rot. Bonds2

About 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol

4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol (PubChem CID 577221) has the molecular formula C15H26O5S2 and a molecular weight of 350.50 g/mol. Its IUPAC name is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol.

Molecular Properties

Compound Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol
PubChem CID577221
Molecular FormulaC15H26O5S2
Molecular Weight350.50 g/mol
Exact Mass350.12
IUPAC Name4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol
SMILESCC1(C)OCC(C2OC(C)(C)OC(C3SCCCS3)C2O)O1
InChIInChI=1S/C15H26O5S2/c1-14(2)17-8-9(18-14)11-10(16)12(20-15(3,4)19-11)13-21-6-5-7-22-13/h9-13,16H,5-8H2,1-4H3
InChIKeyITFSPTRTTXVAIJ-UHFFFAOYSA-N
XLogP2.22
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl-2-S-(Alpha-D-Mannopyranosyl)-2-Thio-Alpha-D-Mannopyranoside
CID 656957
Propyl Thiopropyl Alpha-D-Mannopyranoside
CID 57339138
(2S,3R,4R,5S,6R)-5-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methylsulfanyloxan-2-yl]sulfanyl-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 5288723
(2S,3R,4S,5R,6S)-2-[[(2S,3R,4R,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-yl]sulfanylmethyl]-6-methoxyoxane-3,4,5-triol
CID 44156914
(2S,3R,4S,5R,6S)-2-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanylmethyl]-6-methoxyoxane-3,4,5-triol
CID 44156920
(2S,3S,4S,5R,6S)-2-[[(2S,3R,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]sulfanylmethyl]-6-methoxyoxane-3,4,5-triol
CID 44592201
(2S,3R,4S,5R)-2-[(2R,3R,5S,6S)-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxyoxan-3-yl]sulfanyloxane-3,4,5-triol
CID 46227214
(2S,3R,4S,5R)-2-[(2R,3R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-6-propan-2-yloxyoxan-3-yl]sulfanyloxane-3,4,5-triol
CID 46227854
5-thio-Ido(b1-3)b-Ido1Me
CID 71717220
5-thio-Ido(b1-6)b-Ido1Me
CID 71719660
5-thio-Ido(b1-3)[5-thio-Ido(b1-6)]b-Ido1Me
CID 71720256
L-Gul(b1-6)5-thio-a-Glc
CID 90664132

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol?
The IUPAC name of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol (CID 577221) is 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol.
What is the SMILES notation for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol?
The canonical SMILES for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol is CC1(C)OCC(C2OC(C)(C)OC(C3SCCCS3)C2O)O1.
What is the InChIKey of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol?
The InChIKey is ITFSPTRTTXVAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5S2/c1-14(2)17-8-9(18-14)11-10(16)12(20-15(3,4)19-11)13-21-6-5-7-22-13/h9-13,16H,5-8H2,1-4H3.
What are the key properties of 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol?
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol has a molecular weight of 350.50 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethyl-1,3-dioxolan-4-yl)-6-(1,3-dithian-2-yl)-2,2-dimethyl-1,3-dioxan-5-ol is sourced from PubChem (CID 577221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).