2-(silylmethyl)propane-1,3-diol

C4H12O2Si — CID 175303794

IUPAC2-(silylmethyl)propane-1,3-diol
SMILESOCC(CO)C[SiH3]
InChIInChI=1S/C4H12O2Si/c5-1-4(2-6)3-7/h4-6H,1-3H2,7H3
InChIKeyJZQFDGKAVGUJTQ-UHFFFAOYSA-N
MW120.22 g/mol
LogP-1.63
Rot. Bonds3

About 2-(silylmethyl)propane-1,3-diol

2-(silylmethyl)propane-1,3-diol (PubChem CID 175303794) has the molecular formula C4H12O2Si and a molecular weight of 120.22 g/mol. Its IUPAC name is 2-(silylmethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(silylmethyl)propane-1,3-diol
PubChem CID175303794
Molecular FormulaC4H12O2Si
Molecular Weight120.22 g/mol
Exact Mass120.06
IUPAC Name2-(silylmethyl)propane-1,3-diol
SMILESOCC(CO)C[SiH3]
InChIInChI=1S/C4H12O2Si/c5-1-4(2-6)3-7/h4-6H,1-3H2,7H3
InChIKeyJZQFDGKAVGUJTQ-UHFFFAOYSA-N
XLogP-1.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 123234471
CID 123234471
2-[[3-hydroxy-2-(hydroxymethyl)propoxy]methyl]propane-1,3-diol
CID 122377868
4-bromo-2-(2-bromoethyl)butan-1-ol
CID 144850163
actinium;2-ethylpropane-1,3-diol;yttrium
CID 59047614
CID 59269692
CID 59269692
1-amino-2-silylethanol
CID 173493084
boric acid;2-(hydroxymethyl)butane-1,4-diol
CID 88776098
2-(fluoromethyl)butan-1-ol
CID 59510838
2-prop-2-enylpent-4-en-1-ol
CID 14895210
2-(hydroxymethyl)pentane-1,5-diol;isocyanic acid
CID 87858570
2-ethylpropane-1,3-diol;propane-1,3-diol
CID 137407885
acetaldehyde;2-(hydroxymethyl)propane-1,3-diol;methanamine
CID 142904970

Frequently Asked Questions

What is the IUPAC name of 2-(silylmethyl)propane-1,3-diol?
The IUPAC name of 2-(silylmethyl)propane-1,3-diol (CID 175303794) is 2-(silylmethyl)propane-1,3-diol.
What is the SMILES notation for 2-(silylmethyl)propane-1,3-diol?
The canonical SMILES for 2-(silylmethyl)propane-1,3-diol is OCC(CO)C[SiH3].
What is the InChIKey of 2-(silylmethyl)propane-1,3-diol?
The InChIKey is JZQFDGKAVGUJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O2Si/c5-1-4(2-6)3-7/h4-6H,1-3H2,7H3.
What are the key properties of 2-(silylmethyl)propane-1,3-diol?
2-(silylmethyl)propane-1,3-diol has a molecular weight of 120.22 g/mol, XLogP of -1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(silylmethyl)propane-1,3-diol is sourced from PubChem (CID 175303794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).