2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide

C15H26O7S — CID 126728040

IUPAC2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide
SMILESCC1CCC(CC2OCC(COCC3OCCCO3)O2)S1(=O)=O
InChIInChI=1S/C15H26O7S/c1-11-3-4-13(23(11,16)17)7-14-21-9-12(22-14)8-18-10-15-19-5-2-6-20-15/h11-15H,2-10H2,1H3
InChIKeyDSYXPBWNKSHOGY-UHFFFAOYSA-N
MW350.43 g/mol
LogP0.86
Rot. Bonds6

About 2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide

2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide (PubChem CID 126728040) has the molecular formula C15H26O7S and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide.

Molecular Properties

Compound Name2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide
PubChem CID126728040
Molecular FormulaC15H26O7S
Molecular Weight350.43 g/mol
Exact Mass350.14
IUPAC Name2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide
SMILESCC1CCC(CC2OCC(COCC3OCCCO3)O2)S1(=O)=O
InChIInChI=1S/C15H26O7S/c1-11-3-4-13(23(11,16)17)7-14-21-9-12(22-14)8-18-10-15-19-5-2-6-20-15/h11-15H,2-10H2,1H3
InChIKeyDSYXPBWNKSHOGY-UHFFFAOYSA-N
XLogP0.86
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide with MolForge

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Related Compounds

[(2R,4R)-4-(tetradecoxymethyl)-1,3-dioxolan-2-yl]methanol
CID 129383460
methyl 2-[2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]acetate
CID 117169151
(2-pentadecyl-1,3-dioxolan-4-yl)methoxymethanol
CID 123535578
6-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]hexan-1-ol
CID 23042923
ethanol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87071861
methyl 2-[[(2S)-2-heptyl-1,3-dioxolan-4-yl]methoxy]acetate
CID 171064920
2-(oxiran-2-ylmethoxymethyl)oxirane;oxophosphane
CID 22290133
methane;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 167637417
2-methylprop-1-ene;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 87296159
cyclopentane;ethane-1,2-diol;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 88518341
methyl 2-[2-[(1-methylpiperidin-3-yl)methyl]-1,3-dioxolan-4-yl]acetate
CID 117169263
2-(oxiran-2-ylmethoxymethyl)oxirane;sulfur trioxide
CID 87769776

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide?
The IUPAC name of 2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide (CID 126728040) is 2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide.
What is the SMILES notation for 2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide?
The canonical SMILES for 2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide is CC1CCC(CC2OCC(COCC3OCCCO3)O2)S1(=O)=O.
What is the InChIKey of 2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide?
The InChIKey is DSYXPBWNKSHOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O7S/c1-11-3-4-13(23(11,16)17)7-14-21-9-12(22-14)8-18-10-15-19-5-2-6-20-15/h11-15H,2-10H2,1H3.
What are the key properties of 2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide?
2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide has a molecular weight of 350.43 g/mol, XLogP of 0.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,3-dioxan-2-ylmethoxymethyl)-1,3-dioxolan-2-yl]methyl]-5-methylthiolane 1,1-dioxide is sourced from PubChem (CID 126728040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).