tri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane

C21H40O4Si — CID 11143497

IUPACtri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane
SMILESCC(C)[Si](C(C)C)(C(C)C)C1[C@H]2OC(C)(C)O[C@H]2C[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C21H40O4Si/c1-12(2)26(13(3)4,14(5)6)19-17-15(22-20(7,8)24-17)11-16-18(19)25-21(9,10)23-16/h12-19H,11H2,1-10H3/t15-,16+,17-,18+,19?
InChIKeyJESPLRGOACNAIQ-MKAJOQBOSA-N
MW384.63 g/mol
LogP5.48
Rot. Bonds4

About tri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane

tri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane (PubChem CID 11143497) has the molecular formula C21H40O4Si and a molecular weight of 384.63 g/mol. Its IUPAC name is tri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane
PubChem CID11143497
Molecular FormulaC21H40O4Si
Molecular Weight384.63 g/mol
Exact Mass384.27
IUPAC Nametri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane
SMILESCC(C)[Si](C(C)C)(C(C)C)C1[C@H]2OC(C)(C)O[C@H]2C[C@H]2OC(C)(C)O[C@@H]12
InChIInChI=1S/C21H40O4Si/c1-12(2)26(13(3)4,14(5)6)19-17-15(22-20(7,8)24-17)11-16-18(19)25-21(9,10)23-16/h12-19H,11H2,1-10H3/t15-,16+,17-,18+,19?
InChIKeyJESPLRGOACNAIQ-MKAJOQBOSA-N
XLogP5.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.63
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane?
The IUPAC name of tri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane (CID 11143497) is tri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane.
What is the SMILES notation for tri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane?
The canonical SMILES for tri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane is CC(C)[Si](C(C)C)(C(C)C)C1[C@H]2OC(C)(C)O[C@H]2C[C@H]2OC(C)(C)O[C@@H]12.
What is the InChIKey of tri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane?
The InChIKey is JESPLRGOACNAIQ-MKAJOQBOSA-N. The full InChI is InChI=1S/C21H40O4Si/c1-12(2)26(13(3)4,14(5)6)19-17-15(22-20(7,8)24-17)11-16-18(19)25-21(9,10)23-16/h12-19H,11H2,1-10H3/t15-,16+,17-,18+,19?.
What are the key properties of tri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane?
tri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane has a molecular weight of 384.63 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(1R,3S,7S,9R)-5,5,11,11-tetramethyl-4,6,10,12-tetraoxatricyclo[7.3.0.03,7]dodecan-2-yl]silane is sourced from PubChem (CID 11143497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).