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

C20H30OSi — CID 18347522

IUPAC[3-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-trimethylsilane
SMILESCOc1c(C)cc(C)cc1C(C)(C)C1=CC([Si](C)(C)C)C=C1
InChIInChI=1S/C20H30OSi/c1-14-11-15(2)19(21-5)18(12-14)20(3,4)16-9-10-17(13-16)22(6,7)8/h9-13,17H,1-8H3
InChIKeyJYMKHXOFYYIQPO-UHFFFAOYSA-N
MW314.55 g/mol
LogP5.79
Rot. Bonds4

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

[3-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-trimethylsilane (PubChem CID 18347522) has the molecular formula C20H30OSi and a molecular weight of 314.55 g/mol. Its IUPAC name is [3-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-trimethylsilane
PubChem CID18347522
Molecular FormulaC20H30OSi
Molecular Weight314.55 g/mol
Exact Mass314.21
IUPAC Name[3-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-trimethylsilane
SMILESCOc1c(C)cc(C)cc1C(C)(C)C1=CC([Si](C)(C)C)C=C1
InChIInChI=1S/C20H30OSi/c1-14-11-15(2)19(21-5)18(12-14)20(3,4)16-9-10-17(13-16)22(6,7)8/h9-13,17H,1-8H3
InChIKeyJYMKHXOFYYIQPO-UHFFFAOYSA-N
XLogP5.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 55.79
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-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-trimethylsilane?
The IUPAC name of [3-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-trimethylsilane (CID 18347522) is [3-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-trimethylsilane.
What is the SMILES notation for [3-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-trimethylsilane?
The canonical SMILES for [3-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-trimethylsilane is COc1c(C)cc(C)cc1C(C)(C)C1=CC([Si](C)(C)C)C=C1.
What is the InChIKey of [3-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-trimethylsilane?
The InChIKey is JYMKHXOFYYIQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30OSi/c1-14-11-15(2)19(21-5)18(12-14)20(3,4)16-9-10-17(13-16)22(6,7)8/h9-13,17H,1-8H3.
What are the key properties of [3-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-trimethylsilane?
[3-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-trimethylsilane has a molecular weight of 314.55 g/mol, XLogP of 5.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(2-methoxy-3,5-dimethylphenyl)propan-2-yl]cyclopenta-2,4-dien-1-yl]-trimethylsilane is sourced from PubChem (CID 18347522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).