diethyl carbonate;propan-2-ol

C8H18O4 — CID 87583574

IUPACdiethyl carbonate;propan-2-ol
SMILESCC(C)O.CCOC(=O)OCC
InChIInChI=1S/C5H10O3.C3H8O/c1-3-7-5(6)8-4-2;1-3(2)4/h3-4H2,1-2H3;3-4H,1-2H3
InChIKeyMQTOBCLBYUBCSN-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.57
Rot. Bonds2

About diethyl carbonate;propan-2-ol

diethyl carbonate;propan-2-ol (PubChem CID 87583574) has the molecular formula C8H18O4 and a molecular weight of 178.23 g/mol. Its IUPAC name is diethyl carbonate;propan-2-ol.

Molecular Properties

Compound Namediethyl carbonate;propan-2-ol
PubChem CID87583574
Molecular FormulaC8H18O4
Molecular Weight178.23 g/mol
Exact Mass178.12
IUPAC Namediethyl carbonate;propan-2-ol
SMILESCC(C)O.CCOC(=O)OCC
InChIInChI=1S/C5H10O3.C3H8O/c1-3-7-5(6)8-4-2;1-3(2)4/h3-4H2,1-2H3;3-4H,1-2H3
InChIKeyMQTOBCLBYUBCSN-UHFFFAOYSA-N
XLogP1.57
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of diethyl carbonate;propan-2-ol?
The IUPAC name of diethyl carbonate;propan-2-ol (CID 87583574) is diethyl carbonate;propan-2-ol.
What is the SMILES notation for diethyl carbonate;propan-2-ol?
The canonical SMILES for diethyl carbonate;propan-2-ol is CC(C)O.CCOC(=O)OCC.
What is the InChIKey of diethyl carbonate;propan-2-ol?
The InChIKey is MQTOBCLBYUBCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3.C3H8O/c1-3-7-5(6)8-4-2;1-3(2)4/h3-4H2,1-2H3;3-4H,1-2H3.
What are the key properties of diethyl carbonate;propan-2-ol?
diethyl carbonate;propan-2-ol has a molecular weight of 178.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl carbonate;propan-2-ol is sourced from PubChem (CID 87583574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).