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

C9H24O4Si2 — CID 123241987

IUPAC3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol
SMILESC[Si](C)(C)O[SiH2]CCCOCC(O)CO
InChIInChI=1S/C9H24O4Si2/c1-15(2,3)13-14-6-4-5-12-8-9(11)7-10/h9-11H,4-8,14H2,1-3H3
InChIKeyPZCKYCWQKHVZGQ-UHFFFAOYSA-N
MW252.46 g/mol
LogP0.10
Rot. Bonds9

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

3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol (PubChem CID 123241987) has the molecular formula C9H24O4Si2 and a molecular weight of 252.46 g/mol. Its IUPAC name is 3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol
PubChem CID123241987
Molecular FormulaC9H24O4Si2
Molecular Weight252.46 g/mol
Exact Mass252.12
IUPAC Name3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol
SMILESC[Si](C)(C)O[SiH2]CCCOCC(O)CO
InChIInChI=1S/C9H24O4Si2/c1-15(2,3)13-14-6-4-5-12-8-9(11)7-10/h9-11H,4-8,14H2,1-3H3
InChIKeyPZCKYCWQKHVZGQ-UHFFFAOYSA-N
XLogP0.10
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.46
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-[bis(trimethylsilyloxy)methylsilyl]propoxy]propane-1,2-diol
CID 173060543
3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[2-hydroxy-3-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol
CID 164730273
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
(2R)-3-[(2R)-3-[(2S)-3-dodecoxy-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 11729241
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
3-(12-hydroxydodecoxy)propane-1,2-diol
CID 78063027
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
5-(2,3-dihydroxypropoxy)pentan-2-one
CID 87130954
3-[2-hydroxy-3-(8-methylnonoxy)propoxy]propane-1,2-diol
CID 71375851
2,3,3-trimethyl-2-propan-2-yl-1-(3-trimethylsilyloxysilylpropoxy)butan-1-ol
CID 123271869
10-(2,3-dihydroxypropoxy)decane-1,1-diol
CID 87342423
3-[(E)-dec-6-enoxy]propane-1,2-diol
CID 101275411

Frequently Asked Questions

What is the IUPAC name of 3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol?
The IUPAC name of 3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol (CID 123241987) is 3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol.
What is the SMILES notation for 3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol?
The canonical SMILES for 3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol is C[Si](C)(C)O[SiH2]CCCOCC(O)CO.
What is the InChIKey of 3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol?
The InChIKey is PZCKYCWQKHVZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24O4Si2/c1-15(2,3)13-14-6-4-5-12-8-9(11)7-10/h9-11H,4-8,14H2,1-3H3.
What are the key properties of 3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol?
3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol has a molecular weight of 252.46 g/mol, XLogP of 0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol is sourced from PubChem (CID 123241987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).