1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one

C20H34O4Si — CID 46938474

IUPAC1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one
SMILESCCCCC(=O)c1c(OC)cc(CO[Si](C)(C)C(C)(C)C)cc1OC
InChIInChI=1S/C20H34O4Si/c1-9-10-11-16(21)19-17(22-5)12-15(13-18(19)23-6)14-24-25(7,8)20(2,3)4/h12-13H,9-11,14H2,1-8H3
InChIKeyOTCPOYLKDYSKLQ-UHFFFAOYSA-N
MW366.57 g/mol
LogP5.60
Rot. Bonds9

About 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one

1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one (PubChem CID 46938474) has the molecular formula C20H34O4Si and a molecular weight of 366.57 g/mol. Its IUPAC name is 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one.

Molecular Properties

Compound Name1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one
PubChem CID46938474
Molecular FormulaC20H34O4Si
Molecular Weight366.57 g/mol
Exact Mass366.22
IUPAC Name1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one
SMILESCCCCC(=O)c1c(OC)cc(CO[Si](C)(C)C(C)(C)C)cc1OC
InChIInChI=1S/C20H34O4Si/c1-9-10-11-16(21)19-17(22-5)12-15(13-18(19)23-6)14-24-25(7,8)20(2,3)4/h12-13H,9-11,14H2,1-8H3
InChIKeyOTCPOYLKDYSKLQ-UHFFFAOYSA-N
XLogP5.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.57
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one?
The IUPAC name of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one (CID 46938474) is 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one.
What is the SMILES notation for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one?
The canonical SMILES for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one is CCCCC(=O)c1c(OC)cc(CO[Si](C)(C)C(C)(C)C)cc1OC.
What is the InChIKey of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one?
The InChIKey is OTCPOYLKDYSKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O4Si/c1-9-10-11-16(21)19-17(22-5)12-15(13-18(19)23-6)14-24-25(7,8)20(2,3)4/h12-13H,9-11,14H2,1-8H3.
What are the key properties of 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one?
1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one has a molecular weight of 366.57 g/mol, XLogP of 5.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethoxyphenyl]pentan-1-one is sourced from PubChem (CID 46938474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).