[2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate

C10H18O6 — CID 68521264

IUPAC[2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate
SMILESCOCCC1OCC(C)(OC(=O)OC)CO1
InChIInChI=1S/C10H18O6/c1-10(16-9(11)13-3)6-14-8(15-7-10)4-5-12-2/h8H,4-7H2,1-3H3
InChIKeyIAPXDCPWNDVELK-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.94
Rot. Bonds4

About [2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate

[2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate (PubChem CID 68521264) has the molecular formula C10H18O6 and a molecular weight of 234.25 g/mol. Its IUPAC name is [2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate.

Molecular Properties

Compound Name[2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate
PubChem CID68521264
Molecular FormulaC10H18O6
Molecular Weight234.25 g/mol
Exact Mass234.11
IUPAC Name[2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate
SMILESCOCCC1OCC(C)(OC(=O)OC)CO1
InChIInChI=1S/C10H18O6/c1-10(16-9(11)13-3)6-14-8(15-7-10)4-5-12-2/h8H,4-7H2,1-3H3
InChIKeyIAPXDCPWNDVELK-UHFFFAOYSA-N
XLogP0.94
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-DI-T-Butoxy-1,4-dioxane
CID 545346
3,6-Dimethoxy-2,2,5,5-tetramethyl-1,4-dioxane
CID 345052
2-Ethoxy-3-diethoxymethyl-p-dioxane
CID 20431574
2-Tert-butoxy-1,4-dioxane
CID 274157
Dimethyl-dimethoxydioxan
CID 129888557
(2S,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol
CID 139206521
(2R,4R,5R)-2-tert-butyl-4-methoxy-5-methyl-1,3-dioxan-5-ol
CID 139206522
2,6-Bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane
CID 162412998
Tert-butyl 2-(oxan-2-yloxy)ethyl carbonate
CID 164670278
1,1-Diethoxy-2-methylpropan-2-yl formate
CID 219460
2-(4,4-Dimethyl-1,3-dioxan-2-yl)-4,4-dimethyl-1,3-dioxane
CID 283984
2,5-Bis[(2-methylpropan-2-yl)oxy]-1,4-dioxane
CID 71332367

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate?
The IUPAC name of [2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate (CID 68521264) is [2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate.
What is the SMILES notation for [2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate?
The canonical SMILES for [2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate is COCCC1OCC(C)(OC(=O)OC)CO1.
What is the InChIKey of [2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate?
The InChIKey is IAPXDCPWNDVELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O6/c1-10(16-9(11)13-3)6-14-8(15-7-10)4-5-12-2/h8H,4-7H2,1-3H3.
What are the key properties of [2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate?
[2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate has a molecular weight of 234.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethyl)-5-methyl-1,3-dioxan-5-yl] methyl carbonate is sourced from PubChem (CID 68521264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).