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

C36H48Si — CID 139672616

IUPACdi(butan-2-yl)-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
SMILESCCC(C)[Si](C(C)CC)(C1C=C(c2ccccc2)C=C1C(C)C)C1C=C(c2ccccc2)C=C1C(C)C
InChIInChI=1S/C36H48Si/c1-9-27(7)37(28(8)10-2,35-23-31(21-33(35)25(3)4)29-17-13-11-14-18-29)36-24-32(22-34(36)26(5)6)30-19-15-12-16-20-30/h11-28,35-36H,9-10H2,1-8H3
InChIKeyCPHCJMFCPSELLS-UHFFFAOYSA-N
MW508.87 g/mol
LogP11.14
Rot. Bonds10

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

di(butan-2-yl)-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane (PubChem CID 139672616) has the molecular formula C36H48Si and a molecular weight of 508.87 g/mol. Its IUPAC name is di(butan-2-yl)-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane.

Molecular Properties

Compound Namedi(butan-2-yl)-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
PubChem CID139672616
Molecular FormulaC36H48Si
Molecular Weight508.87 g/mol
Exact Mass508.35
IUPAC Namedi(butan-2-yl)-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane
SMILESCCC(C)[Si](C(C)CC)(C1C=C(c2ccccc2)C=C1C(C)C)C1C=C(c2ccccc2)C=C1C(C)C
InChIInChI=1S/C36H48Si/c1-9-27(7)37(28(8)10-2,35-23-31(21-33(35)25(3)4)29-17-13-11-14-18-29)36-24-32(22-34(36)26(5)6)30-19-15-12-16-20-30/h11-28,35-36H,9-10H2,1-8H3
InChIKeyCPHCJMFCPSELLS-UHFFFAOYSA-N
XLogP11.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.87
LogP ≤ 511.14
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-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
The IUPAC name of di(butan-2-yl)-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane (CID 139672616) is di(butan-2-yl)-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane.
What is the SMILES notation for di(butan-2-yl)-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
The canonical SMILES for di(butan-2-yl)-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane is CCC(C)[Si](C(C)CC)(C1C=C(c2ccccc2)C=C1C(C)C)C1C=C(c2ccccc2)C=C1C(C)C.
What is the InChIKey of di(butan-2-yl)-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
The InChIKey is CPHCJMFCPSELLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H48Si/c1-9-27(7)37(28(8)10-2,35-23-31(21-33(35)25(3)4)29-17-13-11-14-18-29)36-24-32(22-34(36)26(5)6)30-19-15-12-16-20-30/h11-28,35-36H,9-10H2,1-8H3.
What are the key properties of di(butan-2-yl)-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane?
di(butan-2-yl)-bis(4-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane has a molecular weight of 508.87 g/mol, XLogP of 11.14, 10 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-phenyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)silane is sourced from PubChem (CID 139672616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).