[3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane

C24H32OSi2 — CID 139784627

IUPAC[3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane
SMILESCOc1c([Si](C)(C)C)cc(C)cc1[Si](C)(C)C1=C(c2ccccc2)C=CC1
InChIInChI=1S/C24H32OSi2/c1-18-16-22(26(3,4)5)24(25-2)23(17-18)27(6,7)21-15-11-14-20(21)19-12-9-8-10-13-19/h8-14,16-17H,15H2,1-7H3
InChIKeyMAUJHCQBLATZMF-UHFFFAOYSA-N
MW392.69 g/mol
LogP5.42
Rot. Bonds5

About [3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane

[3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane (PubChem CID 139784627) has the molecular formula C24H32OSi2 and a molecular weight of 392.69 g/mol. Its IUPAC name is [3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane.

Molecular Properties

Compound Name[3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane
PubChem CID139784627
Molecular FormulaC24H32OSi2
Molecular Weight392.69 g/mol
Exact Mass392.20
IUPAC Name[3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane
SMILESCOc1c([Si](C)(C)C)cc(C)cc1[Si](C)(C)C1=C(c2ccccc2)C=CC1
InChIInChI=1S/C24H32OSi2/c1-18-16-22(26(3,4)5)24(25-2)23(17-18)27(6,7)21-15-11-14-20(21)19-12-9-8-10-13-19/h8-14,16-17H,15H2,1-7H3
InChIKeyMAUJHCQBLATZMF-UHFFFAOYSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.69
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane?
The IUPAC name of [3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane (CID 139784627) is [3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane.
What is the SMILES notation for [3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane?
The canonical SMILES for [3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane is COc1c([Si](C)(C)C)cc(C)cc1[Si](C)(C)C1=C(c2ccccc2)C=CC1.
What is the InChIKey of [3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane?
The InChIKey is MAUJHCQBLATZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32OSi2/c1-18-16-22(26(3,4)5)24(25-2)23(17-18)27(6,7)21-15-11-14-20(21)19-12-9-8-10-13-19/h8-14,16-17H,15H2,1-7H3.
What are the key properties of [3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane?
[3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane has a molecular weight of 392.69 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[dimethyl-(2-phenylcyclopenta-1,3-dien-1-yl)silyl]-2-methoxy-5-methylphenyl]-trimethylsilane is sourced from PubChem (CID 139784627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).