1,1-ditert-butyl-2,3-diethylsilirene

C14H28Si — CID 10966172

IUPAC1,1-ditert-butyl-2,3-diethylsilirene
SMILESCCC1=C(CC)[Si]1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28Si/c1-9-11-12(10-2)15(11,13(3,4)5)14(6,7)8/h9-10H2,1-8H3
InChIKeyHKMVIYMKAKMFLW-UHFFFAOYSA-N
MW224.46 g/mol
LogP5.24
Rot. Bonds2

About 1,1-ditert-butyl-2,3-diethylsilirene

1,1-ditert-butyl-2,3-diethylsilirene (PubChem CID 10966172) has the molecular formula C14H28Si and a molecular weight of 224.46 g/mol. Its IUPAC name is 1,1-ditert-butyl-2,3-diethylsilirene.

Molecular Properties

Compound Name1,1-ditert-butyl-2,3-diethylsilirene
PubChem CID10966172
Molecular FormulaC14H28Si
Molecular Weight224.46 g/mol
Exact Mass224.20
IUPAC Name1,1-ditert-butyl-2,3-diethylsilirene
SMILESCCC1=C(CC)[Si]1(C(C)(C)C)C(C)(C)C
InChIInChI=1S/C14H28Si/c1-9-11-12(10-2)15(11,13(3,4)5)14(6,7)8/h9-10H2,1-8H3
InChIKeyHKMVIYMKAKMFLW-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.46
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-tert-Butyl-1,1,3-trimethyl-1H-silirene
CID 13303646
2,3-Diethyl-1,1-bis(tri-tert-butylsilyl)-1-silacycloprop-2-ene
CID 85833920
CID 134870873
CID 134870873
CID 134870964
CID 134870964
CID 134892586
CID 134892586
CID 134892622
CID 134892622
CID 134892675
CID 134892675
Silane, trimethyl[(1-methylethylidene)cyclopropyl]-
CID 552987
Silane, (2-ethyl-1-methyl-1-butenyl)trimethyl-
CID 553183
(1-Cyclopropylidene-3-trimethylstannylpropyl)-trimethylsilane
CID 11301547
Trimethyl(2,3,4-trimethylpent-3-en-2-yl)silane
CID 20647642
Dimethyl-(3-methylbut-2-en-2-yl)-(3-methylpent-2-en-2-yl)silane
CID 59955055

Frequently Asked Questions

What is the IUPAC name of 1,1-ditert-butyl-2,3-diethylsilirene?
The IUPAC name of 1,1-ditert-butyl-2,3-diethylsilirene (CID 10966172) is 1,1-ditert-butyl-2,3-diethylsilirene.
What is the SMILES notation for 1,1-ditert-butyl-2,3-diethylsilirene?
The canonical SMILES for 1,1-ditert-butyl-2,3-diethylsilirene is CCC1=C(CC)[Si]1(C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1,1-ditert-butyl-2,3-diethylsilirene?
The InChIKey is HKMVIYMKAKMFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28Si/c1-9-11-12(10-2)15(11,13(3,4)5)14(6,7)8/h9-10H2,1-8H3.
What are the key properties of 1,1-ditert-butyl-2,3-diethylsilirene?
1,1-ditert-butyl-2,3-diethylsilirene has a molecular weight of 224.46 g/mol, XLogP of 5.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-ditert-butyl-2,3-diethylsilirene is sourced from PubChem (CID 10966172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).