[3-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane

C20H34OSi2 — CID 138970747

IUPAC[3-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane
SMILESCOc1cccc([Si](C)(C)C)c1C1C2CCC(C2)C1[Si](C)(C)C
InChIInChI=1S/C20H34OSi2/c1-21-16-9-8-10-17(22(2,3)4)19(16)18-14-11-12-15(13-14)20(18)23(5,6)7/h8-10,14-15,18,20H,11-13H2,1-7H3
InChIKeyUOLPMCKLWUHGRE-UHFFFAOYSA-N
MW346.66 g/mol
LogP5.46
Rot. Bonds4

About [3-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane

[3-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane (PubChem CID 138970747) has the molecular formula C20H34OSi2 and a molecular weight of 346.66 g/mol. Its IUPAC name is [3-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane.

Molecular Properties

Compound Name[3-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane
PubChem CID138970747
Molecular FormulaC20H34OSi2
Molecular Weight346.66 g/mol
Exact Mass346.21
IUPAC Name[3-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane
SMILESCOc1cccc([Si](C)(C)C)c1C1C2CCC(C2)C1[Si](C)(C)C
InChIInChI=1S/C20H34OSi2/c1-21-16-9-8-10-17(22(2,3)4)19(16)18-14-11-12-15(13-14)20(18)23(5,6)7/h8-10,14-15,18,20H,11-13H2,1-7H3
InChIKeyUOLPMCKLWUHGRE-UHFFFAOYSA-N
XLogP5.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.66
LogP ≤ 55.46
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-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane?
The IUPAC name of [3-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane (CID 138970747) is [3-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane.
What is the SMILES notation for [3-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane?
The canonical SMILES for [3-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane is COc1cccc([Si](C)(C)C)c1C1C2CCC(C2)C1[Si](C)(C)C.
What is the InChIKey of [3-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane?
The InChIKey is UOLPMCKLWUHGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34OSi2/c1-21-16-9-8-10-17(22(2,3)4)19(16)18-14-11-12-15(13-14)20(18)23(5,6)7/h8-10,14-15,18,20H,11-13H2,1-7H3.
What are the key properties of [3-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane?
[3-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane has a molecular weight of 346.66 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-2-(3-trimethylsilyl-2-bicyclo[2.2.1]heptanyl)phenyl]-trimethylsilane is sourced from PubChem (CID 138970747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).