tri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane

C48H78Si2 — CID 101212827

IUPACtri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane
SMILESCC(C)[Si](C#CC(=C=C(C#CC#CC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C48H78Si2/c1-35(2)49(36(3)4,37(5)6)31-29-43(47(19,20)21)33-41(45(13,14)15)27-25-26-28-42(46(16,17)18)34-44(48(22,23)24)30-32-50(38(7)8,39(9)10)40(11)12/h35-40H,1-24H3
InChIKeyPZGCWHINPXQLRU-UHFFFAOYSA-N
MW711.32 g/mol
LogP14.52
Rot. Bonds6

About tri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane

tri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane (PubChem CID 101212827) has the molecular formula C48H78Si2 and a molecular weight of 711.32 g/mol. Its IUPAC name is tri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane.

Molecular Properties

Compound Nametri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane
PubChem CID101212827
Molecular FormulaC48H78Si2
Molecular Weight711.32 g/mol
Exact Mass710.56
IUPAC Nametri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane
SMILESCC(C)[Si](C#CC(=C=C(C#CC#CC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C48H78Si2/c1-35(2)49(36(3)4,37(5)6)31-29-43(47(19,20)21)33-41(45(13,14)15)27-25-26-28-42(46(16,17)18)34-44(48(22,23)24)30-32-50(38(7)8,39(9)10)40(11)12/h35-40H,1-24H3
InChIKeyPZGCWHINPXQLRU-UHFFFAOYSA-N
XLogP14.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.32
LogP ≤ 514.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane?
The IUPAC name of tri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane (CID 101212827) is tri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane?
The canonical SMILES for tri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane is CC(C)[Si](C#CC(=C=C(C#CC#CC(=C=C(C#C[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of tri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane?
The InChIKey is PZGCWHINPXQLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H78Si2/c1-35(2)49(36(3)4,37(5)6)31-29-43(47(19,20)21)33-41(45(13,14)15)27-25-26-28-42(46(16,17)18)34-44(48(22,23)24)30-32-50(38(7)8,39(9)10)40(11)12/h35-40H,1-24H3.
What are the key properties of tri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane?
tri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane has a molecular weight of 711.32 g/mol, XLogP of 14.52, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[3,5,10,12-tetratert-butyl-14-tri(propan-2-yl)silyltetradeca-3,4,10,11-tetraen-1,6,8,13-tetraynyl]silane is sourced from PubChem (CID 101212827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).