(2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane

C25H32OSi — CID 18347641

IUPAC(2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane
SMILESCOc1c(-c2ccccc2)cc(C)cc1[Si](C)(C)C1=C(C(C)(C)C)C=CC1
InChIInChI=1S/C25H32OSi/c1-18-16-20(19-12-9-8-10-13-19)24(26-5)23(17-18)27(6,7)22-15-11-14-21(22)25(2,3)4/h8-14,16-17H,15H2,1-7H3
InChIKeyNSLBSCAHQRDGDX-UHFFFAOYSA-N
MW376.62 g/mol
LogP6.43
Rot. Bonds4

About (2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane

(2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane (PubChem CID 18347641) has the molecular formula C25H32OSi and a molecular weight of 376.62 g/mol. Its IUPAC name is (2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane.

Molecular Properties

Compound Name(2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane
PubChem CID18347641
Molecular FormulaC25H32OSi
Molecular Weight376.62 g/mol
Exact Mass376.22
IUPAC Name(2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane
SMILESCOc1c(-c2ccccc2)cc(C)cc1[Si](C)(C)C1=C(C(C)(C)C)C=CC1
InChIInChI=1S/C25H32OSi/c1-18-16-20(19-12-9-8-10-13-19)24(26-5)23(17-18)27(6,7)22-15-11-14-21(22)25(2,3)4/h8-14,16-17H,15H2,1-7H3
InChIKeyNSLBSCAHQRDGDX-UHFFFAOYSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.62
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-5-methyl-3-phenylphenyl)-dimethyl-[2-(2-methylpropyl)cyclopenta-1,3-dien-1-yl]silane
CID 139784555
[3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane
CID 139784627
(2-tert-butylcyclopenta-1,3-dien-1-yl)-(3-tert-butyl-2-methoxyphenyl)-dimethylsilane
CID 18347736
(2-methoxy-3,5-dimethylphenyl)-dimethyl-(2-trimethylsilylcyclopenta-1,3-dien-1-yl)silane
CID 18347709
(1,2-dimethylcyclopenta-2,4-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane
CID 139784592
(2-tert-butylcyclopenta-1,3-dien-1-yl)-triphenylsilane
CID 123467419
2-methoxy-1,3-diphenyl-5-(trifluoromethyl)benzene
CID 146622594
9-[3-carbazol-9-yl-5-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]phenyl]carbazole
CID 59358185
(2-butylcyclopenta-1,3-dien-1-yl)-(3,5-ditert-butyl-2-methoxyphenyl)-dimethylsilane
CID 139784554
ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane
CID 139468098
(3-tert-butyl-2-methoxy-5-methylphenyl)-dimethyl-(2,3,3,4-tetramethylcyclopenten-1-yl)silane
CID 150340216
chloro-tris(2,5-dimethyl-3-phenylphenyl)silane
CID 88962543

Frequently Asked Questions

What is the IUPAC name of (2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane?
The IUPAC name of (2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane (CID 18347641) is (2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane.
What is the SMILES notation for (2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane?
The canonical SMILES for (2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane is COc1c(-c2ccccc2)cc(C)cc1[Si](C)(C)C1=C(C(C)(C)C)C=CC1.
What is the InChIKey of (2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane?
The InChIKey is NSLBSCAHQRDGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32OSi/c1-18-16-20(19-12-9-8-10-13-19)24(26-5)23(17-18)27(6,7)22-15-11-14-21(22)25(2,3)4/h8-14,16-17H,15H2,1-7H3.
What are the key properties of (2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane?
(2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane has a molecular weight of 376.62 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butylcyclopenta-1,3-dien-1-yl)-(2-methoxy-5-methyl-3-phenylphenyl)-dimethylsilane is sourced from PubChem (CID 18347641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).