(4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane

C23H34Si — CID 139774073

IUPAC(4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane
SMILESCCCCc1ccc(C[Si](C)(C)c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C23H34Si/c1-5-7-9-20-11-13-22(14-12-20)19-24(3,4)23-17-15-21(16-18-23)10-8-6-2/h11-18H,5-10,19H2,1-4H3
InChIKeyMPPKUJMFEVIBEH-UHFFFAOYSA-N
MW338.61 g/mol
LogP6.07
Rot. Bonds9

About (4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane

(4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane (PubChem CID 139774073) has the molecular formula C23H34Si and a molecular weight of 338.61 g/mol. Its IUPAC name is (4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane.

Molecular Properties

Compound Name(4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane
PubChem CID139774073
Molecular FormulaC23H34Si
Molecular Weight338.61 g/mol
Exact Mass338.24
IUPAC Name(4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane
SMILESCCCCc1ccc(C[Si](C)(C)c2ccc(CCCC)cc2)cc1
InChIInChI=1S/C23H34Si/c1-5-7-9-20-11-13-22(14-12-20)19-24(3,4)23-17-15-21(16-18-23)10-8-6-2/h11-18H,5-10,19H2,1-4H3
InChIKeyMPPKUJMFEVIBEH-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.61
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-Methylbiphenyl
CID 12566
Pentadecylbenzene
CID 16476
Tridecylbenzene
CID 31238
Isopropylbiphenyl
CID 20259910
Tetradecylbenzene
CID 15086
(2.2)Paracyclophane
CID 74210
Trimethylbenzylsilane
CID 69862
[(E)-4-phenylbut-2-enyl]benzene
CID 5370638
alpha-Methylstyrene dimer
CID 22521
Di-p-tolylmethane
CID 21071
1,3-Diphenylpropane
CID 14125
Di-p-tolyl
CID 11941

Frequently Asked Questions

What is the IUPAC name of (4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane?
The IUPAC name of (4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane (CID 139774073) is (4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane.
What is the SMILES notation for (4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane?
The canonical SMILES for (4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane is CCCCc1ccc(C[Si](C)(C)c2ccc(CCCC)cc2)cc1.
What is the InChIKey of (4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane?
The InChIKey is MPPKUJMFEVIBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34Si/c1-5-7-9-20-11-13-22(14-12-20)19-24(3,4)23-17-15-21(16-18-23)10-8-6-2/h11-18H,5-10,19H2,1-4H3.
What are the key properties of (4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane?
(4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane has a molecular weight of 338.61 g/mol, XLogP of 6.07, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylphenyl)-[(4-butylphenyl)methyl]-dimethylsilane is sourced from PubChem (CID 139774073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).