(2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane

C16H30Si — CID 139800189

IUPAC(2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane
SMILESCC(C)(C)C1=CCC(C(C)(C)C)=C1[Si](C)(C)C
InChIInChI=1S/C16H30Si/c1-15(2,3)12-10-11-13(16(4,5)6)14(12)17(7,8)9/h10H,11H2,1-9H3
InChIKeyYJMIFESNKXVEBL-UHFFFAOYSA-N
MW250.50 g/mol
LogP5.58
Rot. Bonds1

About (2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane

(2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane (PubChem CID 139800189) has the molecular formula C16H30Si and a molecular weight of 250.50 g/mol. Its IUPAC name is (2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane.

Molecular Properties

Compound Name(2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane
PubChem CID139800189
Molecular FormulaC16H30Si
Molecular Weight250.50 g/mol
Exact Mass250.21
IUPAC Name(2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane
SMILESCC(C)(C)C1=CCC(C(C)(C)C)=C1[Si](C)(C)C
InChIInChI=1S/C16H30Si/c1-15(2,3)12-10-11-13(16(4,5)6)14(12)17(7,8)9/h10H,11H2,1-9H3
InChIKeyYJMIFESNKXVEBL-UHFFFAOYSA-N
XLogP5.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.50
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane?
The IUPAC name of (2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane (CID 139800189) is (2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane.
What is the SMILES notation for (2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane?
The canonical SMILES for (2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane is CC(C)(C)C1=CCC(C(C)(C)C)=C1[Si](C)(C)C.
What is the InChIKey of (2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane?
The InChIKey is YJMIFESNKXVEBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30Si/c1-15(2,3)12-10-11-13(16(4,5)6)14(12)17(7,8)9/h10H,11H2,1-9H3.
What are the key properties of (2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane?
(2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane has a molecular weight of 250.50 g/mol, XLogP of 5.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-ditert-butylcyclopenta-1,4-dien-1-yl)-trimethylsilane is sourced from PubChem (CID 139800189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).