tri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane

C18H38O2Si — CID 101396465

IUPACtri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane
SMILESCC(C)[Si](O[C@@H]1CCC(C)(C)OC1(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H38O2Si/c1-13(2)21(14(3)4,15(5)6)19-16-11-12-17(7,8)20-18(16,9)10/h13-16H,11-12H2,1-10H3/t16-/m1/s1
InChIKeyZBULPJXZIUYYRX-MRXNPFEDSA-N
MW314.59 g/mol
LogP5.91
Rot. Bonds5

About tri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane

tri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane (PubChem CID 101396465) has the molecular formula C18H38O2Si and a molecular weight of 314.59 g/mol. Its IUPAC name is tri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane
PubChem CID101396465
Molecular FormulaC18H38O2Si
Molecular Weight314.59 g/mol
Exact Mass314.26
IUPAC Nametri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane
SMILESCC(C)[Si](O[C@@H]1CCC(C)(C)OC1(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H38O2Si/c1-13(2)21(14(3)4,15(5)6)19-16-11-12-17(7,8)20-18(16,9)10/h13-16H,11-12H2,1-10H3/t16-/m1/s1
InChIKeyZBULPJXZIUYYRX-MRXNPFEDSA-N
XLogP5.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.59
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1S,9S,10R)-9-methyl-12-oxatricyclo[7.2.1.01,6]dodec-7-en-10-yl]oxy-tri(propan-2-yl)silane
CID 139254989
[(2R,3R)-6,6-dimethyl-2-(4-methylpentyl)oxan-3-yl]oxy-tri(propan-2-yl)silane
CID 101396464
(6S)-3,7,7-trimethyl-8-tri(propan-2-yl)silyloxytetracyclo[4.4.2.01,6.03,11]dodecan-4-one
CID 134959506
(2R)-2-[(2S,5R)-5-[(2S,5S)-5-[(2R,5S,6R)-6-but-3-enyl-2,6-dimethyl-5-tri(propan-2-yl)silyloxyoxan-2-yl]oxolan-2-yl]oxolan-2-yl]-4-[(4R)-2,2,5,5-tetramethyl-1,3-dioxolan-4-yl]butan-2-ol
CID 134930972
(1S,2S,5S,6E,8R,10R,12S)-2,8,12-trimethyl-5-propan-2-yl-10-tri(propan-2-yl)silyloxy-15-oxabicyclo[10.2.1]pentadec-6-ene-2,8-diol
CID 25018687
[(3S)-1-hydroxypyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
CID 11747324
(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-1,5-dimethyl-8-oxabicyclo[3.2.1]octan-6-one
CID 10755508
cyclopenta-2,4-dien-1-yloxy-tri(propan-2-yl)silane
CID 15810782
(1R,2R,3R,4S,5S)-2-methyl-4-tri(propan-2-yl)silyloxy-6,8-dioxabicyclo[3.2.1]octan-3-ol
CID 10969136
2-[(5,5-dimethyloxolan-2-yl)methyl]-N,3-dimethylbutan-1-amine
CID 116523573
(1R)-1-[(2S,5R)-5-hydroxy-3,4-bis[tri(propan-2-yl)silyloxy]oxolan-2-yl]ethane-1,2-diol
CID 164669996
1-(5,5-dimethyloxolan-2-yl)-2-methylpropan-1-ol
CID 130146410

Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane?
The IUPAC name of tri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane (CID 101396465) is tri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane.
What is the SMILES notation for tri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane?
The canonical SMILES for tri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane is CC(C)[Si](O[C@@H]1CCC(C)(C)OC1(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane?
The InChIKey is ZBULPJXZIUYYRX-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H38O2Si/c1-13(2)21(14(3)4,15(5)6)19-16-11-12-17(7,8)20-18(16,9)10/h13-16H,11-12H2,1-10H3/t16-/m1/s1.
What are the key properties of tri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane?
tri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane has a molecular weight of 314.59 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(3R)-2,2,6,6-tetramethyloxan-3-yl]oxysilane is sourced from PubChem (CID 101396465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).