[4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane

C21H32OSi — CID 68742340

IUPAC[4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane
SMILESCOc1c(C)cc(C)cc1C(C)(C)C1=CC([Si](C)(C)C)C(C)=C1
InChIInChI=1S/C21H32OSi/c1-14-10-16(3)20(22-6)18(11-14)21(4,5)17-12-15(2)19(13-17)23(7,8)9/h10-13,19H,1-9H3
InChIKeyJMZFEBQHMHIGLS-UHFFFAOYSA-N
MW328.57 g/mol
LogP6.18
Rot. Bonds4

About [4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane

[4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane (PubChem CID 68742340) has the molecular formula C21H32OSi and a molecular weight of 328.57 g/mol. Its IUPAC name is [4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane
PubChem CID68742340
Molecular FormulaC21H32OSi
Molecular Weight328.57 g/mol
Exact Mass328.22
IUPAC Name[4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane
SMILESCOc1c(C)cc(C)cc1C(C)(C)C1=CC([Si](C)(C)C)C(C)=C1
InChIInChI=1S/C21H32OSi/c1-14-10-16(3)20(22-6)18(11-14)21(4,5)17-12-15(2)19(13-17)23(7,8)9/h10-13,19H,1-9H3
InChIKeyJMZFEBQHMHIGLS-UHFFFAOYSA-N
XLogP6.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.57
LogP ≤ 56.18
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 [4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane?
The IUPAC name of [4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane (CID 68742340) is [4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane.
What is the SMILES notation for [4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane?
The canonical SMILES for [4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane is COc1c(C)cc(C)cc1C(C)(C)C1=CC([Si](C)(C)C)C(C)=C1.
What is the InChIKey of [4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane?
The InChIKey is JMZFEBQHMHIGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32OSi/c1-14-10-16(3)20(22-6)18(11-14)21(4,5)17-12-15(2)19(13-17)23(7,8)9/h10-13,19H,1-9H3.
What are the key properties of [4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane?
[4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane has a molecular weight of 328.57 g/mol, XLogP of 6.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]-2-methylcyclopenta-2,4-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 68742340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).