3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene

C26H34Si — CID 91222545

IUPAC3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene
SMILESCCCCc1cc2c(-c3ccc(C(C)(C)C)cc3)c3c1C=C(C)C3[Si]2(C)C
InChIInChI=1S/C26H34Si/c1-8-9-10-19-16-22-23(18-11-13-20(14-12-18)26(3,4)5)24-21(19)15-17(2)25(24)27(22,6)7/h11-16,25H,8-10H2,1-7H3
InChIKeyJKAZGGLKIBDVTL-UHFFFAOYSA-N
MW374.64 g/mol
LogP6.96
Rot. Bonds4

About 3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene

3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene (PubChem CID 91222545) has the molecular formula C26H34Si and a molecular weight of 374.64 g/mol. Its IUPAC name is 3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene.

Molecular Properties

Compound Name3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene
PubChem CID91222545
Molecular FormulaC26H34Si
Molecular Weight374.64 g/mol
Exact Mass374.24
IUPAC Name3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene
SMILESCCCCc1cc2c(-c3ccc(C(C)(C)C)cc3)c3c1C=C(C)C3[Si]2(C)C
InChIInChI=1S/C26H34Si/c1-8-9-10-19-16-22-23(18-11-13-20(14-12-18)26(3,4)5)24-21(19)15-17(2)25(24)27(22,6)7/h11-16,25H,8-10H2,1-7H3
InChIKeyJKAZGGLKIBDVTL-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.64
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene with MolForge

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Related Compounds

1-butyl-4-methylbenzene;1-tert-butyl-4-methylbenzene;ethane
CID 164906830
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CID 175939936
CID 91311200
CID 91311200
2-butyl-5-tert-butylbenzonitrile
CID 15357545
2-butyl-5-tert-butyl-4-(3,5-dimethylphenyl)-1H-indene
CID 87702765
4-N-(2-butyl-4-tert-butyl-6-methylphenyl)-1-N-(4-tert-butyl-2,6-dimethylphenyl)-1-N,4-N-bis(4-methylphenyl)benzene-1,4-diamine
CID 166998387
1-bromo-4-tert-butyl-2-propylbenzene
CID 174167812
N-[4-(4-tert-butylphenyl)phenyl]-4-[4-[4-[N-[4-(4-tert-butylphenyl)phenyl]-4-(4-methylphenyl)anilino]-2-methylphenyl]-2,5-dihexylphenyl]-3-methyl-N-[4-(4-methylphenyl)phenyl]aniline
CID 171457404
1-tert-butyl-4-undecylbenzene
CID 162402478
4-(4-tert-butylphenyl)-7-methyl-2-pentyl-1H-indene
CID 87188884
4-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-6-hexylbenzene-1,3-diol
CID 135804512
2-butyl-1-[2-(2-butyl-4,7-diethyl-1H-inden-1-yl)propan-2-yl]-4,7-diethyl-1H-indene
CID 139962907

Frequently Asked Questions

What is the IUPAC name of 3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene?
The IUPAC name of 3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene (CID 91222545) is 3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene.
What is the SMILES notation for 3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene?
The canonical SMILES for 3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene is CCCCc1cc2c(-c3ccc(C(C)(C)C)cc3)c3c1C=C(C)C3[Si]2(C)C.
What is the InChIKey of 3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene?
The InChIKey is JKAZGGLKIBDVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34Si/c1-8-9-10-19-16-22-23(18-11-13-20(14-12-18)26(3,4)5)24-21(19)15-17(2)25(24)27(22,6)7/h11-16,25H,8-10H2,1-7H3.
What are the key properties of 3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene?
3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene has a molecular weight of 374.64 g/mol, XLogP of 6.96, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-9-(4-tert-butylphenyl)-6,10,10-trimethyl-10-silatricyclo[5.2.1.04,8]deca-1(9),2,4(8),5-tetraene is sourced from PubChem (CID 91222545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).