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

C30H52Si — CID 139672564

IUPACbis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane
SMILESCCC(C)C1=CC([Si](C(C)C)(C(C)C)C2C=C(C(C)CC)C=C2C(C)C)C(C(C)C)=C1
InChIInChI=1S/C30H52Si/c1-13-23(11)25-15-27(19(3)4)29(17-25)31(21(7)8,22(9)10)30-18-26(24(12)14-2)16-28(30)20(5)6/h15-24,29-30H,13-14H2,1-12H3
InChIKeyGYBYJCTUNGYBBR-UHFFFAOYSA-N
MW440.83 g/mol
LogP10.13
Rot. Bonds10

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

bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane (PubChem CID 139672564) has the molecular formula C30H52Si and a molecular weight of 440.83 g/mol. Its IUPAC name is bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane.

Molecular Properties

Compound Namebis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane
PubChem CID139672564
Molecular FormulaC30H52Si
Molecular Weight440.83 g/mol
Exact Mass440.38
IUPAC Namebis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane
SMILESCCC(C)C1=CC([Si](C(C)C)(C(C)C)C2C=C(C(C)CC)C=C2C(C)C)C(C(C)C)=C1
InChIInChI=1S/C30H52Si/c1-13-23(11)25-15-27(19(3)4)29(17-25)31(21(7)8,22(9)10)30-18-26(24(12)14-2)16-28(30)20(5)6/h15-24,29-30H,13-14H2,1-12H3
InChIKeyGYBYJCTUNGYBBR-UHFFFAOYSA-N
XLogP10.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
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'}

Analyze bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane?
The IUPAC name of bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane (CID 139672564) is bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane.
What is the SMILES notation for bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane?
The canonical SMILES for bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane is CCC(C)C1=CC([Si](C(C)C)(C(C)C)C2C=C(C(C)CC)C=C2C(C)C)C(C(C)C)=C1.
What is the InChIKey of bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane?
The InChIKey is GYBYJCTUNGYBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52Si/c1-13-23(11)25-15-27(19(3)4)29(17-25)31(21(7)8,22(9)10)30-18-26(24(12)14-2)16-28(30)20(5)6/h15-24,29-30H,13-14H2,1-12H3.
What are the key properties of bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane?
bis(4-butan-2-yl-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, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-butan-2-yl-2-propan-2-ylcyclopenta-2,4-dien-1-yl)-di(propan-2-yl)silane is sourced from PubChem (CID 139672564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).