(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane

C39H52Si — CID 140852530

IUPAC(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane
SMILESCCCCc1ccc([Si](c2ccc(CCCC)cc2)(c2ccc(CCCC)cc2)C2C=CC=C2C(C)CC)cc1
InChIInChI=1S/C39H52Si/c1-6-10-14-32-19-25-35(26-20-32)40(39-18-13-17-38(39)31(5)9-4,36-27-21-33(22-28-36)15-11-7-2)37-29-23-34(24-30-37)16-12-8-3/h13,17-31,39H,6-12,14-16H2,1-5H3
InChIKeyXPYBLSABKHJYLH-UHFFFAOYSA-N
MW548.93 g/mol
LogP9.10
Rot. Bonds15

About (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane

(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane (PubChem CID 140852530) has the molecular formula C39H52Si and a molecular weight of 548.93 g/mol. Its IUPAC name is (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane.

Molecular Properties

Compound Name(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane
PubChem CID140852530
Molecular FormulaC39H52Si
Molecular Weight548.93 g/mol
Exact Mass548.38
IUPAC Name(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane
SMILESCCCCc1ccc([Si](c2ccc(CCCC)cc2)(c2ccc(CCCC)cc2)C2C=CC=C2C(C)CC)cc1
InChIInChI=1S/C39H52Si/c1-6-10-14-32-19-25-35(26-20-32)40(39-18-13-17-38(39)31(5)9-4,36-27-21-33(22-28-36)15-11-7-2)37-29-23-34(24-30-37)16-12-8-3/h13,17-31,39H,6-12,14-16H2,1-5H3
InChIKeyXPYBLSABKHJYLH-UHFFFAOYSA-N
XLogP9.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.93
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane with MolForge

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Related Compounds

tris(4-butylphenyl)-(3-methylcyclopenta-2,4-dien-1-yl)silane
CID 140852682
(3-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane;titanium
CID 173494790
bis(4-butylphenyl)-chloro-methylsilane
CID 59164914
(4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane
CID 139774073
1-butyl-4-propan-2-ylbenzene;hexane
CID 142937575
1-butyl-4-propan-2-ylbenzene;1,4-di(propan-2-yl)benzene;methane
CID 176687578
1-butyl-4-nonylbenzene
CID 59545302
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
(4-decylphenyl)-trimethylsilane
CID 69331769
3,6-bis(4-butylphenyl)-1,2,4,5-tetraoxane
CID 44573810
1-butyl-4-[(2R)-4-(4-ethylphenyl)pentan-2-yl]benzene
CID 176687461

Frequently Asked Questions

What is the IUPAC name of (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane?
The IUPAC name of (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane (CID 140852530) is (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane.
What is the SMILES notation for (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane?
The canonical SMILES for (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane is CCCCc1ccc([Si](c2ccc(CCCC)cc2)(c2ccc(CCCC)cc2)C2C=CC=C2C(C)CC)cc1.
What is the InChIKey of (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane?
The InChIKey is XPYBLSABKHJYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H52Si/c1-6-10-14-32-19-25-35(26-20-32)40(39-18-13-17-38(39)31(5)9-4,36-27-21-33(22-28-36)15-11-7-2)37-29-23-34(24-30-37)16-12-8-3/h13,17-31,39H,6-12,14-16H2,1-5H3.
What are the key properties of (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane?
(2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane has a molecular weight of 548.93 g/mol, XLogP of 9.10, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-ylcyclopenta-2,4-dien-1-yl)-tris(4-butylphenyl)silane is sourced from PubChem (CID 140852530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).