bis(1-ethoxypropan-2-yl) carbonate

C11H22O5 — CID 87247407

IUPACbis(1-ethoxypropan-2-yl) carbonate
SMILESCCOCC(C)OC(=O)OC(C)COCC
InChIInChI=1S/C11H22O5/c1-5-13-7-9(3)15-11(12)16-10(4)8-14-6-2/h9-10H,5-8H2,1-4H3
InChIKeyDZCDSUCTMAZVDP-UHFFFAOYSA-N
MW234.29 g/mol
LogP1.99
Rot. Bonds8

About bis(1-ethoxypropan-2-yl) carbonate

bis(1-ethoxypropan-2-yl) carbonate (PubChem CID 87247407) has the molecular formula C11H22O5 and a molecular weight of 234.29 g/mol. Its IUPAC name is bis(1-ethoxypropan-2-yl) carbonate.

Molecular Properties

Compound Namebis(1-ethoxypropan-2-yl) carbonate
PubChem CID87247407
Molecular FormulaC11H22O5
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Namebis(1-ethoxypropan-2-yl) carbonate
SMILESCCOCC(C)OC(=O)OC(C)COCC
InChIInChI=1S/C11H22O5/c1-5-13-7-9(3)15-11(12)16-10(4)8-14-6-2/h9-10H,5-8H2,1-4H3
InChIKeyDZCDSUCTMAZVDP-UHFFFAOYSA-N
XLogP1.99
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze bis(1-ethoxypropan-2-yl) carbonate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(1-ethoxypropan-2-yl) carbonate?
The IUPAC name of bis(1-ethoxypropan-2-yl) carbonate (CID 87247407) is bis(1-ethoxypropan-2-yl) carbonate.
What is the SMILES notation for bis(1-ethoxypropan-2-yl) carbonate?
The canonical SMILES for bis(1-ethoxypropan-2-yl) carbonate is CCOCC(C)OC(=O)OC(C)COCC.
What is the InChIKey of bis(1-ethoxypropan-2-yl) carbonate?
The InChIKey is DZCDSUCTMAZVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O5/c1-5-13-7-9(3)15-11(12)16-10(4)8-14-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of bis(1-ethoxypropan-2-yl) carbonate?
bis(1-ethoxypropan-2-yl) carbonate has a molecular weight of 234.29 g/mol, XLogP of 1.99, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethoxypropan-2-yl) carbonate is sourced from PubChem (CID 87247407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).