bis(2-ethoxypropan-2-yl) carbonate

C11H22O5 — CID 87247770

IUPACbis(2-ethoxypropan-2-yl) carbonate
SMILESCCOC(C)(C)OC(=O)OC(C)(C)OCC
InChIInChI=1S/C11H22O5/c1-7-13-10(3,4)15-9(12)16-11(5,6)14-8-2/h7-8H2,1-6H3
InChIKeyXWFQMSXOVSPISN-UHFFFAOYSA-N
MW234.29 g/mol
LogP2.68
Rot. Bonds6

About bis(2-ethoxypropan-2-yl) carbonate

bis(2-ethoxypropan-2-yl) carbonate (PubChem CID 87247770) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is bis(2-ethoxypropan-2-yl) carbonate.

Molecular Properties

Compound Namebis(2-ethoxypropan-2-yl) carbonate
PubChem CID87247770
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Namebis(2-ethoxypropan-2-yl) carbonate
SMILESCCOC(C)(C)OC(=O)OC(C)(C)OCC
InChIInChI=1S/C11H22O5/c1-7-13-10(3,4)15-9(12)16-11(5,6)14-8-2/h7-8H2,1-6H3
InChIKeyXWFQMSXOVSPISN-UHFFFAOYSA-N
XLogP2.68
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-ethoxypropan-2-yl acetate
CID 19889183
2-(2-ethoxypropan-2-yloxy)acetic acid
CID 89112124
2-ethoxy-2-(2-ethoxypropan-2-yloxy)propane
CID 87328218
2-ethoxypropan-2-yloxy-hydroxy-oxophosphanium
CID 121257772
acetic acid;1,1,1-triethoxyethane
CID 90101940
1,3-diethoxy-3-methylbutan-2-one
CID 116710340
2,2-diethoxypentan-3-one
CID 163406008
2-ethoxypropan-2-yloxysilane
CID 173032012
bis(1,1-diethoxyethyl) pentanedioate
CID 20572027
tert-butyl 2-amino-2,2-diethoxyacetate
CID 87520437
(2-ethoxy-3-methylbutan-2-yl) acetate
CID 141070948
ethane;2-ethoxy-2,3-dimethylbutane
CID 169190788

Frequently Asked Questions

What is the IUPAC name of bis(2-ethoxypropan-2-yl) carbonate?
The IUPAC name of bis(2-ethoxypropan-2-yl) carbonate (CID 87247770) is bis(2-ethoxypropan-2-yl) carbonate.
What is the SMILES notation for bis(2-ethoxypropan-2-yl) carbonate?
The canonical SMILES for bis(2-ethoxypropan-2-yl) carbonate is CCOC(C)(C)OC(=O)OC(C)(C)OCC.
What is the InChIKey of bis(2-ethoxypropan-2-yl) carbonate?
The InChIKey is XWFQMSXOVSPISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-7-13-10(3,4)15-9(12)16-11(5,6)14-8-2/h7-8H2,1-6H3.
What are the key properties of bis(2-ethoxypropan-2-yl) carbonate?
bis(2-ethoxypropan-2-yl) carbonate has a molecular weight of 234.29 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-ethoxypropan-2-yl) carbonate is sourced from PubChem (CID 87247770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).