[3-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane

C20H28OSi2 — CID 164686963

IUPAC[3-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane
SMILESCOc1ccc2cc(C=C=C([Si](C)(C)C)[Si](C)(C)C)ccc2c1
InChIInChI=1S/C20H28OSi2/c1-21-19-12-11-17-14-16(8-10-18(17)15-19)9-13-20(22(2,3)4)23(5,6)7/h8-12,14-15H,1-7H3
InChIKeyLWBZMEDIHJKJGL-UHFFFAOYSA-N
MW340.62 g/mol
LogP6.14
Rot. Bonds4

About [3-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane

[3-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane (PubChem CID 164686963) has the molecular formula C20H28OSi2 and a molecular weight of 340.62 g/mol. Its IUPAC name is [3-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[3-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane
PubChem CID164686963
Molecular FormulaC20H28OSi2
Molecular Weight340.62 g/mol
Exact Mass340.17
IUPAC Name[3-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane
SMILESCOc1ccc2cc(C=C=C([Si](C)(C)C)[Si](C)(C)C)ccc2c1
InChIInChI=1S/C20H28OSi2/c1-21-19-12-11-17-14-16(8-10-18(17)15-19)9-13-20(22(2,3)4)23(5,6)7/h8-12,14-15H,1-7H3
InChIKeyLWBZMEDIHJKJGL-UHFFFAOYSA-N
XLogP6.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.62
LogP ≤ 56.14
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-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane?
The IUPAC name of [3-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane (CID 164686963) is [3-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane.
What is the SMILES notation for [3-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane?
The canonical SMILES for [3-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane is COc1ccc2cc(C=C=C([Si](C)(C)C)[Si](C)(C)C)ccc2c1.
What is the InChIKey of [3-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane?
The InChIKey is LWBZMEDIHJKJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28OSi2/c1-21-19-12-11-17-14-16(8-10-18(17)15-19)9-13-20(22(2,3)4)23(5,6)7/h8-12,14-15H,1-7H3.
What are the key properties of [3-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane?
[3-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane has a molecular weight of 340.62 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methoxynaphthalen-2-yl)-1-trimethylsilylpropa-1,2-dienyl]-trimethylsilane is sourced from PubChem (CID 164686963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).