trimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane

C28H52Si4 — CID 139067952

IUPACtrimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane
SMILESC[Si](C)(C)[C@H]1C=C2CCC3=C[C@H]([Si](C)(C)C)C(=C[C@@H]3[Si](C)(C)C)CCC1=C[C@@H]2[Si](C)(C)C
InChIInChI=1S/C28H52Si4/c1-29(2,3)25-17-22-15-16-24-20-27(31(7,8)9)23(19-28(24)32(10,11)12)14-13-21(25)18-26(22)30(4,5)6/h17-20,25-28H,13-16H2,1-12H3/t25-,26-,27-,28-/m0/s1
InChIKeyPLVPELOJOVMZRX-LJWNLINESA-N
MW501.07 g/mol
LogP10.13
Rot. Bonds4

About trimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane

trimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane (PubChem CID 139067952) has the molecular formula C28H52Si4 and a molecular weight of 501.07 g/mol. Its IUPAC name is trimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane.

Molecular Properties

Compound Nametrimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane
PubChem CID139067952
Molecular FormulaC28H52Si4
Molecular Weight501.07 g/mol
Exact Mass500.31
IUPAC Nametrimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane
SMILESC[Si](C)(C)[C@H]1C=C2CCC3=C[C@H]([Si](C)(C)C)C(=C[C@@H]3[Si](C)(C)C)CCC1=C[C@@H]2[Si](C)(C)C
InChIInChI=1S/C28H52Si4/c1-29(2,3)25-17-22-15-16-24-20-27(31(7,8)9)23(19-28(24)32(10,11)12)14-13-21(25)18-26(22)30(4,5)6/h17-20,25-28H,13-16H2,1-12H3/t25-,26-,27-,28-/m0/s1
InChIKeyPLVPELOJOVMZRX-LJWNLINESA-N
XLogP10.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.07
LogP ≤ 510.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze trimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane?
The IUPAC name of trimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane (CID 139067952) is trimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane.
What is the SMILES notation for trimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane?
The canonical SMILES for trimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane is C[Si](C)(C)[C@H]1C=C2CCC3=C[C@H]([Si](C)(C)C)C(=C[C@@H]3[Si](C)(C)C)CCC1=C[C@@H]2[Si](C)(C)C.
What is the InChIKey of trimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane?
The InChIKey is PLVPELOJOVMZRX-LJWNLINESA-N. The full InChI is InChI=1S/C28H52Si4/c1-29(2,3)25-17-22-15-16-24-20-27(31(7,8)9)23(19-28(24)32(10,11)12)14-13-21(25)18-26(22)30(4,5)6/h17-20,25-28H,13-16H2,1-12H3/t25-,26-,27-,28-/m0/s1.
What are the key properties of trimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane?
trimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane has a molecular weight of 501.07 g/mol, XLogP of 10.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(5S,12S,14S,15S)-12,14,15-tris(trimethylsilyl)-5-tricyclo[8.2.2.24,7]hexadeca-1(13),4(16),6,10-tetraenyl]silane is sourced from PubChem (CID 139067952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).