1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone

C19H26O3Si — CID 15093066

IUPAC1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone
SMILESCOC1(O[Si](C)(C)C)C=CCC(C(C)=O)=CC1c1ccccc1
InChIInChI=1S/C19H26O3Si/c1-15(20)17-12-9-13-19(21-2,22-23(3,4)5)18(14-17)16-10-7-6-8-11-16/h6-11,13-14,18H,12H2,1-5H3
InChIKeyINSQXMLXBZZCQD-UHFFFAOYSA-N
MW330.50 g/mol
LogP4.44
Rot. Bonds5

About 1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone

1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone (PubChem CID 15093066) has the molecular formula C19H26O3Si and a molecular weight of 330.50 g/mol. Its IUPAC name is 1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone
PubChem CID15093066
Molecular FormulaC19H26O3Si
Molecular Weight330.50 g/mol
Exact Mass330.17
IUPAC Name1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone
SMILESCOC1(O[Si](C)(C)C)C=CCC(C(C)=O)=CC1c1ccccc1
InChIInChI=1S/C19H26O3Si/c1-15(20)17-12-9-13-19(21-2,22-23(3,4)5)18(14-17)16-10-7-6-8-11-16/h6-11,13-14,18H,12H2,1-5H3
InChIKeyINSQXMLXBZZCQD-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone?
The IUPAC name of 1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone (CID 15093066) is 1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone.
What is the SMILES notation for 1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone?
The canonical SMILES for 1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone is COC1(O[Si](C)(C)C)C=CCC(C(C)=O)=CC1c1ccccc1.
What is the InChIKey of 1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone?
The InChIKey is INSQXMLXBZZCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O3Si/c1-15(20)17-12-9-13-19(21-2,22-23(3,4)5)18(14-17)16-10-7-6-8-11-16/h6-11,13-14,18H,12H2,1-5H3.
What are the key properties of 1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone?
1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone has a molecular weight of 330.50 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-phenyl-4-trimethylsilyloxycyclohepta-1,5-dien-1-yl)ethanone is sourced from PubChem (CID 15093066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).