1-[diethoxy(methyl)silyl]propane-1,1-diol

C8H20O4Si — CID 142706911

IUPAC1-[diethoxy(methyl)silyl]propane-1,1-diol
SMILESCCO[Si](C)(OCC)C(O)(O)CC
InChIInChI=1S/C8H20O4Si/c1-5-8(9,10)13(4,11-6-2)12-7-3/h9-10H,5-7H2,1-4H3
InChIKeyXZMOEUJIOZHOJH-UHFFFAOYSA-N
MW208.33 g/mol
LogP0.76
Rot. Bonds6

About 1-[diethoxy(methyl)silyl]propane-1,1-diol

1-[diethoxy(methyl)silyl]propane-1,1-diol (PubChem CID 142706911) has the molecular formula C8H20O4Si and a molecular weight of 208.33 g/mol. Its IUPAC name is 1-[diethoxy(methyl)silyl]propane-1,1-diol.

Molecular Properties

Compound Name1-[diethoxy(methyl)silyl]propane-1,1-diol
PubChem CID142706911
Molecular FormulaC8H20O4Si
Molecular Weight208.33 g/mol
Exact Mass208.11
IUPAC Name1-[diethoxy(methyl)silyl]propane-1,1-diol
SMILESCCO[Si](C)(OCC)C(O)(O)CC
InChIInChI=1S/C8H20O4Si/c1-5-8(9,10)13(4,11-6-2)12-7-3/h9-10H,5-7H2,1-4H3
InChIKeyXZMOEUJIOZHOJH-UHFFFAOYSA-N
XLogP0.76
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[tert-butyl(dimethyl)silyl]oxy-3-methylpentan-3-ol
CID 142478700
triethoxy(methyl)silane
CID 16241
triethoxy-(ethyl-methyl-triethoxysilylsilyl)silane
CID 175421619
alumane;diethoxy(dimethyl)silane
CID 175326080
triethoxy(methyl)silane;hydrate
CID 159569985
ethoxy-hydroxy-methyl-propan-2-yloxysilane
CID 174545360
diethoxy-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9-heptadecafluorodecyl)-methylsilane
CID 54143358
diethoxy-[1-methoxy-1-(3-methyloxetan-3-yl)propyl]-methylsilane
CID 23440458
sodium ethoxy-dimethyl-oxidosilane
CID 23695674
[diethoxy(methyl)silyl]methyl-diethoxy-methylsilane
CID 13131406
ethoxy(trihydroxy)silane;phosphane
CID 174965981
magnesium;triethoxy(methyl)silane;dichloride
CID 175052336

Frequently Asked Questions

What is the IUPAC name of 1-[diethoxy(methyl)silyl]propane-1,1-diol?
The IUPAC name of 1-[diethoxy(methyl)silyl]propane-1,1-diol (CID 142706911) is 1-[diethoxy(methyl)silyl]propane-1,1-diol.
What is the SMILES notation for 1-[diethoxy(methyl)silyl]propane-1,1-diol?
The canonical SMILES for 1-[diethoxy(methyl)silyl]propane-1,1-diol is CCO[Si](C)(OCC)C(O)(O)CC.
What is the InChIKey of 1-[diethoxy(methyl)silyl]propane-1,1-diol?
The InChIKey is XZMOEUJIOZHOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20O4Si/c1-5-8(9,10)13(4,11-6-2)12-7-3/h9-10H,5-7H2,1-4H3.
What are the key properties of 1-[diethoxy(methyl)silyl]propane-1,1-diol?
1-[diethoxy(methyl)silyl]propane-1,1-diol has a molecular weight of 208.33 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[diethoxy(methyl)silyl]propane-1,1-diol is sourced from PubChem (CID 142706911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).