carbonic acid;ethane-1,2-diol;propane-1,2-diol

C6H16O7 — CID 175558536

IUPACcarbonic acid;ethane-1,2-diol;propane-1,2-diol
SMILESCC(O)CO.O=C(O)O.OCCO
InChIInChI=1S/C3H8O2.C2H6O2.CH2O3/c1-3(5)2-4;3-1-2-4;2-1(3)4/h3-5H,2H2,1H3;3-4H,1-2H2;(H2,2,3,4)
InChIKeyICMHBEUWKHFVMY-UHFFFAOYSA-N
MW200.19 g/mol
LogP-1.45
Rot. Bonds2

About carbonic acid;ethane-1,2-diol;propane-1,2-diol

carbonic acid;ethane-1,2-diol;propane-1,2-diol (PubChem CID 175558536) has the molecular formula C6H16O7 and a molecular weight of 200.19 g/mol. Its IUPAC name is carbonic acid;ethane-1,2-diol;propane-1,2-diol.

Molecular Properties

Compound Namecarbonic acid;ethane-1,2-diol;propane-1,2-diol
PubChem CID175558536
Molecular FormulaC6H16O7
Molecular Weight200.19 g/mol
Exact Mass200.09
IUPAC Namecarbonic acid;ethane-1,2-diol;propane-1,2-diol
SMILESCC(O)CO.O=C(O)O.OCCO
InChIInChI=1S/C3H8O2.C2H6O2.CH2O3/c1-3(5)2-4;3-1-2-4;2-1(3)4/h3-5H,2H2,1H3;3-4H,1-2H2;(H2,2,3,4)
InChIKeyICMHBEUWKHFVMY-UHFFFAOYSA-N
XLogP-1.45
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500200.19
LogP ≤ 5-1.45
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

Analyze carbonic acid;ethane-1,2-diol;propane-1,2-diol 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

carbonic acid;(2S)-propane-1,2-diol
CID 70700046
ethane-1,2-diol;methane;propane-1,2-diol
CID 157128213
ethane-1,2-diol;tetrakis(2-methylprop-2-enoic acid);propane-1,2-diol
CID 173026059
2-hydroxypropanoic acid;propane-1,2-diol
CID 87142668
propane-1,2-diol
CID 23506506
azane;propane-1,2-diol;propanoic acid
CID 175501884
but-2-enedioic acid;propane-1,2-diol
CID 71366935
nitroxyl;propane-1,2-diol
CID 175455323
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
butane-1,4-diol;ethane-1,2-diol;hexane-1,6-diol;propane-1,2-diol
CID 157231119
acetic acid;butan-1-ol;propane-1,2-diol
CID 175324133

Frequently Asked Questions

What is the IUPAC name of carbonic acid;ethane-1,2-diol;propane-1,2-diol?
The IUPAC name of carbonic acid;ethane-1,2-diol;propane-1,2-diol (CID 175558536) is carbonic acid;ethane-1,2-diol;propane-1,2-diol.
What is the SMILES notation for carbonic acid;ethane-1,2-diol;propane-1,2-diol?
The canonical SMILES for carbonic acid;ethane-1,2-diol;propane-1,2-diol is CC(O)CO.O=C(O)O.OCCO.
What is the InChIKey of carbonic acid;ethane-1,2-diol;propane-1,2-diol?
The InChIKey is ICMHBEUWKHFVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O2.C2H6O2.CH2O3/c1-3(5)2-4;3-1-2-4;2-1(3)4/h3-5H,2H2,1H3;3-4H,1-2H2;(H2,2,3,4).
What are the key properties of carbonic acid;ethane-1,2-diol;propane-1,2-diol?
carbonic acid;ethane-1,2-diol;propane-1,2-diol has a molecular weight of 200.19 g/mol, XLogP of -1.45, 2 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;ethane-1,2-diol;propane-1,2-diol is sourced from PubChem (CID 175558536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).