[(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane

C19H30Si — CID 139067482

IUPAC[(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane
SMILESCC(C)(C)C1=C/C(=C\C#C[Si](C)(C)C)C(C(C)(C)C)=C1
InChIInChI=1S/C19H30Si/c1-18(2,3)16-13-15(11-10-12-20(7,8)9)17(14-16)19(4,5)6/h11,13-14H,1-9H3/b15-11+
InChIKeyGLEQSBNDGRIPCW-RVDMUPIBSA-N
MW286.53 g/mol
LogP5.75
Rot. Bonds

About [(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane

[(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane (PubChem CID 139067482) has the molecular formula C19H30Si and a molecular weight of 286.53 g/mol. Its IUPAC name is [(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane
PubChem CID139067482
Molecular FormulaC19H30Si
Molecular Weight286.53 g/mol
Exact Mass286.21
IUPAC Name[(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane
SMILESCC(C)(C)C1=C/C(=C\C#C[Si](C)(C)C)C(C(C)(C)C)=C1
InChIInChI=1S/C19H30Si/c1-18(2,3)16-13-15(11-10-12-20(7,8)9)17(14-16)19(4,5)6/h11,13-14H,1-9H3/b15-11+
InChIKeyGLEQSBNDGRIPCW-RVDMUPIBSA-N
XLogP5.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.53
LogP ≤ 55.75
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 [(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

bis[(1R)-2,4-ditert-butylcyclopenta-2,4-dien-1-yl]-dimethylsilane
CID 139174999
1,3-Cyclopentadiene, 5,5-dimethyl-1-(trimethylsilylmethyl)-
CID 552783
(3-Ethenyl-3,7-dimethyloct-6-en-1-ynyl)-trimethylsilane
CID 9991646
(3-Tert-butylcyclopenta-2,4-dien-1-yl)-dimethyl-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)silane
CID 12053436
Dimethylbis(2-methyl-4-tert-butylcyclopentadienyl)silane
CID 12156407
(2-Tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane
CID 15394697
Bis(3-tert-butylcyclopenta-1,3-dien-1-yl)-dimethylsilane
CID 15820796
Bis(4-tert-butyl-2-methylcyclopenta-1,3-dien-1-yl)-dimethylsilane
CID 15820800
(3-Tert-butylcyclopenta-2,4-dien-1-yl)-trimethylsilane
CID 15912517
Chloro-(2-cyclopenta-1,3-dien-1-yl-2-methylpropyl)-dimethylsilane
CID 17869006
(4-Tert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane
CID 17912811
(3-Tert-butylcyclopenta-2,4-dien-1-ylidene)-dimethylsilane
CID 18417286

Frequently Asked Questions

What is the IUPAC name of [(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane?
The IUPAC name of [(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane (CID 139067482) is [(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane is CC(C)(C)C1=C/C(=C\C#C[Si](C)(C)C)C(C(C)(C)C)=C1.
What is the InChIKey of [(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane?
The InChIKey is GLEQSBNDGRIPCW-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H30Si/c1-18(2,3)16-13-15(11-10-12-20(7,8)9)17(14-16)19(4,5)6/h11,13-14H,1-9H3/b15-11+.
What are the key properties of [(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane?
[(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane has a molecular weight of 286.53 g/mol, XLogP of 5.75, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-3-(2,4-ditert-butylcyclopenta-2,4-dien-1-ylidene)prop-1-ynyl]-trimethylsilane is sourced from PubChem (CID 139067482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).