butan-2-yl 1,3-dioxan-5-yl carbonate;ethane

C11H22O5 — CID 143939629

IUPACbutan-2-yl 1,3-dioxan-5-yl carbonate;ethane
SMILESCC.CCC(C)OC(=O)OC1COCOC1
InChIInChI=1S/C9H16O5.C2H6/c1-3-7(2)13-9(10)14-8-4-11-6-12-5-8;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyWEUNICBZZUGZHE-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.34
Rot. Bonds3

About butan-2-yl 1,3-dioxan-5-yl carbonate;ethane

butan-2-yl 1,3-dioxan-5-yl carbonate;ethane (PubChem CID 143939629) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is butan-2-yl 1,3-dioxan-5-yl carbonate;ethane.

Molecular Properties

Compound Namebutan-2-yl 1,3-dioxan-5-yl carbonate;ethane
PubChem CID143939629
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Namebutan-2-yl 1,3-dioxan-5-yl carbonate;ethane
SMILESCC.CCC(C)OC(=O)OC1COCOC1
InChIInChI=1S/C9H16O5.C2H6/c1-3-7(2)13-9(10)14-8-4-11-6-12-5-8;1-2/h7-8H,3-6H2,1-2H3;1-2H3
InChIKeyWEUNICBZZUGZHE-UHFFFAOYSA-N
XLogP2.34
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze butan-2-yl 1,3-dioxan-5-yl carbonate;ethane 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

Diethyl propane-1,2-diyl dicarbonate
CID 22506445
1,3-Propanediol, 2-((acetyloxy)methoxy)-, 1,3-diacetate
CID 9794888
2-Ethoxy-3-diethoxymethyl-p-dioxane
CID 20431574
2,5-Dimethoxy-2,3,5,6-tetramethyl-1,4-dioxane
CID 54193628
Methyl (1,3-dioxan-5-yl)carbonate
CID 85840275
Methyl 1-propoxypropan-2-yl carbonate
CID 87202902
Bis(1-ethoxypropan-2-yl) carbonate
CID 87247407
Bis(1-methoxypropan-2-yl) carbonate
CID 87247473
Bis[1-(1-methoxypropan-2-yloxy)propan-2-yl] carbonate
CID 101196635
2,6-Di(propan-2-yloxy)-1,4-dioxane
CID 12283272
Methyl (1,3-dioxane-4-yl)methylcarbonate
CID 129771161
(2R,3R,5S)-2,3-dimethoxy-2,3,5-trimethyl-1,4-dioxane
CID 134857736

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 1,3-dioxan-5-yl carbonate;ethane?
The IUPAC name of butan-2-yl 1,3-dioxan-5-yl carbonate;ethane (CID 143939629) is butan-2-yl 1,3-dioxan-5-yl carbonate;ethane.
What is the SMILES notation for butan-2-yl 1,3-dioxan-5-yl carbonate;ethane?
The canonical SMILES for butan-2-yl 1,3-dioxan-5-yl carbonate;ethane is CC.CCC(C)OC(=O)OC1COCOC1.
What is the InChIKey of butan-2-yl 1,3-dioxan-5-yl carbonate;ethane?
The InChIKey is WEUNICBZZUGZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O5.C2H6/c1-3-7(2)13-9(10)14-8-4-11-6-12-5-8;1-2/h7-8H,3-6H2,1-2H3;1-2H3.
What are the key properties of butan-2-yl 1,3-dioxan-5-yl carbonate;ethane?
butan-2-yl 1,3-dioxan-5-yl carbonate;ethane has a molecular weight of 234.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 1,3-dioxan-5-yl carbonate;ethane is sourced from PubChem (CID 143939629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).