ditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane

C43H96Si7 — CID 102083549

IUPACditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane
SMILESCCC1=C(CC)[Si@](C[Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Si]([Si](C)(C(C)(C)C)C(C)(C)C)=[Si]1[Si](C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C43H96Si7/c1-31-34-35(32-2)50(49(30,42(21,22)23)43(24,25)26,33-46(27,36(3,4)5)37(6,7)8)45(48(29,40(15,16)17)41(18,19)20)44(34)47(28,38(9,10)11)39(12,13)14/h31-33H2,1-30H3/t50-/m0/s1
InChIKeyBUEFCOCAYPIRHW-DPDRHGIRSA-N
MW809.84 g/mol
LogP16.28
Rot. Bonds7

About ditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane

ditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane (PubChem CID 102083549) has the molecular formula C43H96Si7 and a molecular weight of 809.84 g/mol. Its IUPAC name is ditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane.

Molecular Properties

Compound Nameditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane
PubChem CID102083549
Molecular FormulaC43H96Si7
Molecular Weight809.84 g/mol
Exact Mass808.59
IUPAC Nameditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane
SMILESCCC1=C(CC)[Si@](C[Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Si]([Si](C)(C(C)(C)C)C(C)(C)C)=[Si]1[Si](C)(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C43H96Si7/c1-31-34-35(32-2)50(49(30,42(21,22)23)43(24,25)26,33-46(27,36(3,4)5)37(6,7)8)45(48(29,40(15,16)17)41(18,19)20)44(34)47(28,38(9,10)11)39(12,13)14/h31-33H2,1-30H3/t50-/m0/s1
InChIKeyBUEFCOCAYPIRHW-DPDRHGIRSA-N
XLogP16.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.84
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 ditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane?
The IUPAC name of ditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane (CID 102083549) is ditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane.
What is the SMILES notation for ditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane?
The canonical SMILES for ditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane is CCC1=C(CC)[Si@](C[Si](C)(C(C)(C)C)C(C)(C)C)([Si](C)(C(C)(C)C)C(C)(C)C)[Si]([Si](C)(C(C)(C)C)C(C)(C)C)=[Si]1[Si](C)(C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane?
The InChIKey is BUEFCOCAYPIRHW-DPDRHGIRSA-N. The full InChI is InChI=1S/C43H96Si7/c1-31-34-35(32-2)50(49(30,42(21,22)23)43(24,25)26,33-46(27,36(3,4)5)37(6,7)8)45(48(29,40(15,16)17)41(18,19)20)44(34)47(28,38(9,10)11)39(12,13)14/h31-33H2,1-30H3/t50-/m0/s1.
What are the key properties of ditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane?
ditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane has a molecular weight of 809.84 g/mol, XLogP of 16.28, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-methyl-[[(1S)-1,2,3-tris[ditert-butyl(methyl)silyl]-4,5-diethyltrisilol-1-yl]methyl]silane is sourced from PubChem (CID 102083549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).