2,3-dihydroxypropyl ethyl carbonate

C6H12O5 — CID 87609123

IUPAC2,3-dihydroxypropyl ethyl carbonate
SMILESCCOC(=O)OCC(O)CO
InChIInChI=1S/C6H12O5/c1-2-10-6(9)11-4-5(8)3-7/h5,7-8H,2-4H2,1H3
InChIKeyNFTISWSKCODOLW-UHFFFAOYSA-N
MW164.16 g/mol
LogP-0.49
Rot. Bonds4

About 2,3-dihydroxypropyl ethyl carbonate

2,3-dihydroxypropyl ethyl carbonate (PubChem CID 87609123) has the molecular formula C6H12O5 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2,3-dihydroxypropyl ethyl carbonate.

Molecular Properties

Compound Name2,3-dihydroxypropyl ethyl carbonate
PubChem CID87609123
Molecular FormulaC6H12O5
Molecular Weight164.16 g/mol
Exact Mass164.07
IUPAC Name2,3-dihydroxypropyl ethyl carbonate
SMILESCCOC(=O)OCC(O)CO
InChIInChI=1S/C6H12O5/c1-2-10-6(9)11-4-5(8)3-7/h5,7-8H,2-4H2,1H3
InChIKeyNFTISWSKCODOLW-UHFFFAOYSA-N
XLogP-0.49
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,3-dihydroxypropyl ethyl carbonate 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

decyl 2,3-dihydroxypropyl carbonate
CID 11265856
ethyl acetate;propane-1,2,3-triol
CID 23448368
ethyl 2-(2,3-dihydroxypropoxy)acetate
CID 57225948
carbon dioxide;ethyl methyl carbonate;propane-1,2,3-triol;dihydrate
CID 160666750
diethyl carbonate;ethane-1,2-diol
CID 19764063
copper;2,3-dihydroxypropyl acetate
CID 175414462
CID 175796855
CID 175796855
2,3-dihydroxypropyl butanoate
CID 175822551
ethyl 2-(2,3-dihydroxypropoxy)butanoate
CID 174629792
[(2S)-2,3-dihydroxypropyl] carbamate
CID 141178909
2,3-dihydroxypropoxycarbonyl octyl carbonate
CID 88669928
magnesium;diethyl carbonate;hydride
CID 173249173

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl ethyl carbonate?
The IUPAC name of 2,3-dihydroxypropyl ethyl carbonate (CID 87609123) is 2,3-dihydroxypropyl ethyl carbonate.
What is the SMILES notation for 2,3-dihydroxypropyl ethyl carbonate?
The canonical SMILES for 2,3-dihydroxypropyl ethyl carbonate is CCOC(=O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl ethyl carbonate?
The InChIKey is NFTISWSKCODOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O5/c1-2-10-6(9)11-4-5(8)3-7/h5,7-8H,2-4H2,1H3.
What are the key properties of 2,3-dihydroxypropyl ethyl carbonate?
2,3-dihydroxypropyl ethyl carbonate has a molecular weight of 164.16 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl ethyl carbonate is sourced from PubChem (CID 87609123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).