propane-1,2-diol;trihydroxy(propyl)silane

C6H18O5Si — CID 87061446

IUPACpropane-1,2-diol;trihydroxy(propyl)silane
SMILESCC(O)CO.CCC[Si](O)(O)O
InChIInChI=1S/C3H10O3Si.C3H8O2/c1-2-3-7(4,5)6;1-3(5)2-4/h4-6H,2-3H2,1H3;3-5H,2H2,1H3
InChIKeyBCZAQUOLCAKWIT-UHFFFAOYSA-N
MW198.29 g/mol
LogP-1.33
Rot. Bonds3

About propane-1,2-diol;trihydroxy(propyl)silane

propane-1,2-diol;trihydroxy(propyl)silane (PubChem CID 87061446) has the molecular formula C6H18O5Si and a molecular weight of 198.29 g/mol. Its IUPAC name is propane-1,2-diol;trihydroxy(propyl)silane.

Molecular Properties

Compound Namepropane-1,2-diol;trihydroxy(propyl)silane
PubChem CID87061446
Molecular FormulaC6H18O5Si
Molecular Weight198.29 g/mol
Exact Mass198.09
IUPAC Namepropane-1,2-diol;trihydroxy(propyl)silane
SMILESCC(O)CO.CCC[Si](O)(O)O
InChIInChI=1S/C3H10O3Si.C3H8O2/c1-2-3-7(4,5)6;1-3(5)2-4/h4-6H,2-3H2,1H3;3-5H,2H2,1H3
InChIKeyBCZAQUOLCAKWIT-UHFFFAOYSA-N
XLogP-1.33
TPSA101.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 5-1.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze propane-1,2-diol;trihydroxy(propyl)silane 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

propane-1,2-diol
CID 23506506
pentane;propane-1,2-diol
CID 88731847
CID 160650971
CID 160650971
propane-1,2-diol;silver
CID 158521790
bis(butan-2-ol);bis(hydroxy(tripropyl)silane);titanium
CID 140942249
CID 158929584
CID 158929584
methanol;propane-1,2-diol;hydrochloride
CID 88632623
propane-1,2-diol;trihydrochloride;dihydrofluoride
CID 174772875
propane-1,2-diol;1-propylsulfanylpropane
CID 174932498
chloroform;propane-1,2-diol
CID 159626759
methoxymethane;propane-1,2-diol
CID 23435252
propane-1,2-diol;1,1,2,2-tetrafluoroethene
CID 174777178

Frequently Asked Questions

What is the IUPAC name of propane-1,2-diol;trihydroxy(propyl)silane?
The IUPAC name of propane-1,2-diol;trihydroxy(propyl)silane (CID 87061446) is propane-1,2-diol;trihydroxy(propyl)silane.
What is the SMILES notation for propane-1,2-diol;trihydroxy(propyl)silane?
The canonical SMILES for propane-1,2-diol;trihydroxy(propyl)silane is CC(O)CO.CCC[Si](O)(O)O.
What is the InChIKey of propane-1,2-diol;trihydroxy(propyl)silane?
The InChIKey is BCZAQUOLCAKWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10O3Si.C3H8O2/c1-2-3-7(4,5)6;1-3(5)2-4/h4-6H,2-3H2,1H3;3-5H,2H2,1H3.
What are the key properties of propane-1,2-diol;trihydroxy(propyl)silane?
propane-1,2-diol;trihydroxy(propyl)silane has a molecular weight of 198.29 g/mol, XLogP of -1.33, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2-diol;trihydroxy(propyl)silane is sourced from PubChem (CID 87061446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).