3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol

C11H22O6Si — CID 140868968

IUPAC3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol
SMILESCC1O[Si]2(CCCOCC(O)CO)OC(C)C1O2
InChIInChI=1S/C11H22O6Si/c1-8-11-9(2)16-18(15-8,17-11)5-3-4-14-7-10(13)6-12/h8-13H,3-7H2,1-2H3
InChIKeyZDYCBIIFDRGCFW-UHFFFAOYSA-N
MW278.38 g/mol
LogP-0.09
Rot. Bonds7

About 3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol

3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol (PubChem CID 140868968) has the molecular formula C11H22O6Si and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol
PubChem CID140868968
Molecular FormulaC11H22O6Si
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol
SMILESCC1O[Si]2(CCCOCC(O)CO)OC(C)C1O2
InChIInChI=1S/C11H22O6Si/c1-8-11-9(2)16-18(15-8,17-11)5-3-4-14-7-10(13)6-12/h8-13H,3-7H2,1-2H3
InChIKeyZDYCBIIFDRGCFW-UHFFFAOYSA-N
XLogP-0.09
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(12-hydroxydodecoxy)propane-1,2-diol
CID 78063027
1-[[2-hydroxy-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propyl]amino]-3-[3-(3,7,10-trimethyl-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecan-1-yl)propoxy]propan-2-ol
CID 10508740
(2S)-3-pentoxypropane-1,2-diol
CID 56628191
(2S)-3-octadecoxypropane-1,2-diol
CID 10860876
5-(2,3-dihydroxypropoxy)pentan-2-one
CID 87130954
3-heptoxypropane-1,2-diol;hydrate
CID 22908564
(2R)-3-[(2R)-3-[(2S)-3-dodecoxy-2-hydroxypropoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 11729241
3-hexoxypropane-1,2-diol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 174323318
10-(2,3-dihydroxypropoxy)decane-1,1-diol
CID 87342423
3-(3-trimethylsilyloxysilylpropoxy)propane-1,2-diol
CID 123241987
3-decoxypropane-1,2-diol;ethoxyethane
CID 86708450
3-[3-[[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol;3-[3-[[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol;3-[3-[[[[[[butyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol;3-[3-[[butyl(dimethyl)silyl]oxy-dimethylsilyl]propoxy]propane-1,2-diol;3-[3-[dimethyl(trimethylsilyloxy)silyl]propoxy]propane-1,2-diol
CID 157443694

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol?
The IUPAC name of 3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol (CID 140868968) is 3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol.
What is the SMILES notation for 3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol?
The canonical SMILES for 3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol is CC1O[Si]2(CCCOCC(O)CO)OC(C)C1O2.
What is the InChIKey of 3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol?
The InChIKey is ZDYCBIIFDRGCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O6Si/c1-8-11-9(2)16-18(15-8,17-11)5-3-4-14-7-10(13)6-12/h8-13H,3-7H2,1-2H3.
What are the key properties of 3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol?
3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol has a molecular weight of 278.38 g/mol, XLogP of -0.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethyl-2,6,7-trioxa-1-silabicyclo[2.2.1]heptan-1-yl)propoxy]propane-1,2-diol is sourced from PubChem (CID 140868968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).