di(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane

C32H56Si — CID 139672594

IUPACdi(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
SMILESCCC(C)[Si](C(C)CC)(C1C=C(C(C)(C)C)C=C1C(C)C)C1C=C(C(C)(C)C)C=C1C(C)C
InChIInChI=1S/C32H56Si/c1-15-23(7)33(24(8)16-2,29-19-25(31(9,10)11)17-27(29)21(3)4)30-20-26(32(12,13)14)18-28(30)22(5)6/h17-24,29-30H,15-16H2,1-14H3
InChIKeyZNKGEZBSORONPT-UHFFFAOYSA-N
MW468.89 g/mol
LogP10.91
Rot. Bonds8

About di(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane

di(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 139672594) has the molecular formula C32H56Si and a molecular weight of 468.89 g/mol. Its IUPAC name is di(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namedi(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
PubChem CID139672594
Molecular FormulaC32H56Si
Molecular Weight468.89 g/mol
Exact Mass468.42
IUPAC Namedi(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
SMILESCCC(C)[Si](C(C)CC)(C1C=C(C(C)(C)C)C=C1C(C)C)C1C=C(C(C)(C)C)C=C1C(C)C
InChIInChI=1S/C32H56Si/c1-15-23(7)33(24(8)16-2,29-19-25(31(9,10)11)17-27(29)21(3)4)30-20-26(32(12,13)14)18-28(30)22(5)6/h17-24,29-30H,15-16H2,1-14H3
InChIKeyZNKGEZBSORONPT-UHFFFAOYSA-N
XLogP10.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.89
LogP ≤ 510.91
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 di(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of di(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane (CID 139672594) is di(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for di(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for di(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane is CCC(C)[Si](C(C)CC)(C1C=C(C(C)(C)C)C=C1C(C)C)C1C=C(C(C)(C)C)C=C1C(C)C.
What is the InChIKey of di(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is ZNKGEZBSORONPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H56Si/c1-15-23(7)33(24(8)16-2,29-19-25(31(9,10)11)17-27(29)21(3)4)30-20-26(32(12,13)14)18-28(30)22(5)6/h17-24,29-30H,15-16H2,1-14H3.
What are the key properties of di(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
di(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 468.89 g/mol, XLogP of 10.91, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yl)-bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 139672594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).