(2-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane

C22H36Si — CID 19710422

IUPAC(2-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane
SMILESCCC(C)C1=C([Si](C)(C)C2=CC(C(C)C)=CC2C(C)C)CC=C1
InChIInChI=1S/C22H36Si/c1-9-17(6)19-11-10-12-21(19)23(7,8)22-14-18(15(2)3)13-20(22)16(4)5/h10-11,13-17,20H,9,12H2,1-8H3
InChIKeyKRXQPJZWTRQAEW-UHFFFAOYSA-N
MW328.62 g/mol
LogP6.87
Rot. Bonds6

About (2-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane

(2-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane (PubChem CID 19710422) has the molecular formula C22H36Si and a molecular weight of 328.62 g/mol. Its IUPAC name is (2-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane.

Molecular Properties

Compound Name(2-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane
PubChem CID19710422
Molecular FormulaC22H36Si
Molecular Weight328.62 g/mol
Exact Mass328.26
IUPAC Name(2-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane
SMILESCCC(C)C1=C([Si](C)(C)C2=CC(C(C)C)=CC2C(C)C)CC=C1
InChIInChI=1S/C22H36Si/c1-9-17(6)19-11-10-12-21(19)23(7,8)22-14-18(15(2)3)13-20(22)16(4)5/h10-11,13-17,20H,9,12H2,1-8H3
InChIKeyKRXQPJZWTRQAEW-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.62
LogP ≤ 56.87
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-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane?
The IUPAC name of (2-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane (CID 19710422) is (2-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane.
What is the SMILES notation for (2-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane?
The canonical SMILES for (2-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane is CCC(C)C1=C([Si](C)(C)C2=CC(C(C)C)=CC2C(C)C)CC=C1.
What is the InChIKey of (2-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane?
The InChIKey is KRXQPJZWTRQAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36Si/c1-9-17(6)19-11-10-12-21(19)23(7,8)22-14-18(15(2)3)13-20(22)16(4)5/h10-11,13-17,20H,9,12H2,1-8H3.
What are the key properties of (2-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane?
(2-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane has a molecular weight of 328.62 g/mol, XLogP of 6.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-ylcyclopenta-1,3-dien-1-yl)-[3,5-di(propan-2-yl)cyclopenta-1,3-dien-1-yl]-dimethylsilane is sourced from PubChem (CID 19710422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).