trimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane

C27H42Si2 — CID 102211408

IUPACtrimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane
SMILESCC(C)[Si](C#CC1=C(C#C[Si](C)(C)C)C2/C=C\C=C/C1CCC2)(C(C)C)C(C)C
InChIInChI=1S/C27H42Si2/c1-21(2)29(22(3)4,23(5)6)20-18-27-25-14-11-10-13-24(15-12-16-25)26(27)17-19-28(7,8)9/h10-11,13-14,21-25H,12,15-16H2,1-9H3/b13-10-,14-11-
InChIKeyVCSAMTUGVPXMJM-WGYBXSNTSA-N
MW422.81 g/mol
LogP7.93
Rot. Bonds3

About trimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane

trimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane (PubChem CID 102211408) has the molecular formula C27H42Si2 and a molecular weight of 422.81 g/mol. Its IUPAC name is trimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane
PubChem CID102211408
Molecular FormulaC27H42Si2
Molecular Weight422.81 g/mol
Exact Mass422.28
IUPAC Nametrimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane
SMILESCC(C)[Si](C#CC1=C(C#C[Si](C)(C)C)C2/C=C\C=C/C1CCC2)(C(C)C)C(C)C
InChIInChI=1S/C27H42Si2/c1-21(2)29(22(3)4,23(5)6)20-18-27-25-14-11-10-13-24(15-12-16-25)26(27)17-19-28(7,8)9/h10-11,13-14,21-25H,12,15-16H2,1-9H3/b13-10-,14-11-
InChIKeyVCSAMTUGVPXMJM-WGYBXSNTSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.81
LogP ≤ 57.93
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'}

Analyze trimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane with MolForge

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane (CID 102211408) is trimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane is CC(C)[Si](C#CC1=C(C#C[Si](C)(C)C)C2/C=C\C=C/C1CCC2)(C(C)C)C(C)C.
What is the InChIKey of trimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane?
The InChIKey is VCSAMTUGVPXMJM-WGYBXSNTSA-N. The full InChI is InChI=1S/C27H42Si2/c1-21(2)29(22(3)4,23(5)6)20-18-27-25-14-11-10-13-24(15-12-16-25)26(27)17-19-28(7,8)9/h10-11,13-14,21-25H,12,15-16H2,1-9H3/b13-10-,14-11-.
What are the key properties of trimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane?
trimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane has a molecular weight of 422.81 g/mol, XLogP of 7.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2Z,4Z)-11-[2-tri(propan-2-yl)silylethynyl]-10-bicyclo[4.3.2]undeca-2,4,10-trienyl]ethynyl]silane is sourced from PubChem (CID 102211408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).