3-trimethoxysilylpropane-1,2-diol

C6H16O5Si — CID 19360934

IUPAC3-trimethoxysilylpropane-1,2-diol
SMILESCO[Si](CC(O)CO)(OC)OC
InChIInChI=1S/C6H16O5Si/c1-9-12(10-2,11-3)5-6(8)4-7/h6-8H,4-5H2,1-3H3
InChIKeySRFMBPIUCHDYCN-UHFFFAOYSA-N
MW196.27 g/mol
LogP-0.78
Rot. Bonds6

About 3-trimethoxysilylpropane-1,2-diol

3-trimethoxysilylpropane-1,2-diol (PubChem CID 19360934) has the molecular formula C6H16O5Si and a molecular weight of 196.27 g/mol. Its IUPAC name is 3-trimethoxysilylpropane-1,2-diol.

Molecular Properties

Compound Name3-trimethoxysilylpropane-1,2-diol
PubChem CID19360934
Molecular FormulaC6H16O5Si
Molecular Weight196.27 g/mol
Exact Mass196.08
IUPAC Name3-trimethoxysilylpropane-1,2-diol
SMILESCO[Si](CC(O)CO)(OC)OC
InChIInChI=1S/C6H16O5Si/c1-9-12(10-2,11-3)5-6(8)4-7/h6-8H,4-5H2,1-3H3
InChIKeySRFMBPIUCHDYCN-UHFFFAOYSA-N
XLogP-0.78
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-3-trimethoxysilylpropoxy)-3-trimethoxysilylpropan-2-ol
CID 57057803
3-triethoxysilylpropane-1,2-diol
CID 87668140
2-(aminomethyl)-3-trimethoxysilylpropan-1-ol
CID 154196411
1,5-bis(trimethoxysilyl)pentan-3-ol
CID 142667270
2,2-difluoroethyl(trimethoxy)silane
CID 87720096
1,2-dihydroxy-6-trimethoxysilylhexan-3-one;hydrate
CID 141039341
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
(4-hydroxy-5-trimethoxysilylpentyl) prop-2-enoate
CID 88656819
methanethiol;propane-1,2,3-triol
CID 19920877
CID 135334439
CID 135334439
4-trimethoxysilylbutan-2-ol
CID 19880936
CID 160843248
CID 160843248

Frequently Asked Questions

What is the IUPAC name of 3-trimethoxysilylpropane-1,2-diol?
The IUPAC name of 3-trimethoxysilylpropane-1,2-diol (CID 19360934) is 3-trimethoxysilylpropane-1,2-diol.
What is the SMILES notation for 3-trimethoxysilylpropane-1,2-diol?
The canonical SMILES for 3-trimethoxysilylpropane-1,2-diol is CO[Si](CC(O)CO)(OC)OC.
What is the InChIKey of 3-trimethoxysilylpropane-1,2-diol?
The InChIKey is SRFMBPIUCHDYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16O5Si/c1-9-12(10-2,11-3)5-6(8)4-7/h6-8H,4-5H2,1-3H3.
What are the key properties of 3-trimethoxysilylpropane-1,2-diol?
3-trimethoxysilylpropane-1,2-diol has a molecular weight of 196.27 g/mol, XLogP of -0.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethoxysilylpropane-1,2-diol is sourced from PubChem (CID 19360934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).