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

C30H52Si — CID 139672583

IUPACbis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane
SMILESCC(C)C1=CC(C(C)(C)C)=CC1[Si](C(C)C)(C(C)C)C1C=C(C(C)(C)C)C=C1C(C)C
InChIInChI=1S/C30H52Si/c1-19(2)25-15-23(29(9,10)11)17-27(25)31(21(5)6,22(7)8)28-18-24(30(12,13)14)16-26(28)20(3)4/h15-22,27-28H,1-14H3
InChIKeyTUKJVTWBTRYEMQ-UHFFFAOYSA-N
MW440.83 g/mol
LogP10.13
Rot. Bonds6

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

bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane (PubChem CID 139672583) has the molecular formula C30H52Si and a molecular weight of 440.83 g/mol. Its IUPAC name is bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane.

Molecular Properties

Compound Namebis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane
PubChem CID139672583
Molecular FormulaC30H52Si
Molecular Weight440.83 g/mol
Exact Mass440.38
IUPAC Namebis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane
SMILESCC(C)C1=CC(C(C)(C)C)=CC1[Si](C(C)C)(C(C)C)C1C=C(C(C)(C)C)C=C1C(C)C
InChIInChI=1S/C30H52Si/c1-19(2)25-15-23(29(9,10)11)17-27(25)31(21(5)6,22(7)8)28-18-24(30(12,13)14)16-26(28)20(3)4/h15-22,27-28H,1-14H3
InChIKeyTUKJVTWBTRYEMQ-UHFFFAOYSA-N
XLogP10.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.83
LogP ≤ 510.13
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 bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane?
The IUPAC name of bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane (CID 139672583) is bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane.
What is the SMILES notation for bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane?
The canonical SMILES for bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane is CC(C)C1=CC(C(C)(C)C)=CC1[Si](C(C)C)(C(C)C)C1C=C(C(C)(C)C)C=C1C(C)C.
What is the InChIKey of bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane?
The InChIKey is TUKJVTWBTRYEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52Si/c1-19(2)25-15-23(29(9,10)11)17-27(25)31(21(5)6,22(7)8)28-18-24(30(12,13)14)16-26(28)20(3)4/h15-22,27-28H,1-14H3.
What are the key properties of bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane?
bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane has a molecular weight of 440.83 g/mol, XLogP of 10.13, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-tert-butyl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane is sourced from PubChem (CID 139672583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).