(E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one

C28H48O3Si — CID 101376484

IUPAC(E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one
SMILESCCCCCCCCCC/C=C/C(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C28H48O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-25(29)23-27(31-32(6,7)28(2,3)4)24-19-21-26(30-5)22-20-24/h17-22,27H,8-16,23H2,1-7H3/b18-17+
InChIKeyDSHMLEFCAMQOQE-ISLYRVAYSA-N
MW460.78 g/mol
LogP8.80
Rot. Bonds16

About (E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one

(E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one (PubChem CID 101376484) has the molecular formula C28H48O3Si and a molecular weight of 460.78 g/mol. Its IUPAC name is (E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one.

Molecular Properties

Compound Name(E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one
PubChem CID101376484
Molecular FormulaC28H48O3Si
Molecular Weight460.78 g/mol
Exact Mass460.34
IUPAC Name(E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one
SMILESCCCCCCCCCC/C=C/C(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1
InChIInChI=1S/C28H48O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-25(29)23-27(31-32(6,7)28(2,3)4)24-19-21-26(30-5)22-20-24/h17-22,27H,8-16,23H2,1-7H3/b18-17+
InChIKeyDSHMLEFCAMQOQE-ISLYRVAYSA-N
XLogP8.80
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.78
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (E,5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pent-2-enoate
CID 11703319
(E,1S)-1-hydroxy-1-(4-methoxyphenyl)oct-4-en-3-one
CID 102215273
methyl (E)-8-[tert-butyl(dimethyl)silyl]oxy-8-naphthalen-2-yloct-2-enoate
CID 11090934
(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-3,5-bis(4-methoxyphenyl)-5-oxopentanal
CID 11154956
(5S)-5-[tert-butyl(dimethyl)silyl]oxy-5-(4-methoxyphenyl)pentan-1-ol
CID 11631217
(4-methoxyphenyl) 4-oct-2-enoyloxybenzoate
CID 54408453
methyl (11Z,14Z)-3-[tert-butyl(dimethyl)silyl]oxyicosa-11,14-dienoate
CID 86678084
1-methoxy-4-[(1E,3E)-2-methoxyundeca-1,3-dienyl]benzene
CID 46894337
[(2S,3S)-2-[tert-butyl(dimethyl)silyl]oxy-4-oxononadec-5-en-3-yl]carbamic acid
CID 173107970
(E,1S)-1-[(2S,5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]-1-hydroxynonadec-4-en-3-one
CID 57409946
ethyl (3S)-3-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenyl)iminobutanoate
CID 10937422
ethyl 3-[[2-[tert-butyl(dimethyl)silyl]oxy-2-(4-methoxyphenyl)ethyl]amino]-1H-pyrrole-2-carboxylate
CID 67068499

Frequently Asked Questions

What is the IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one?
The IUPAC name of (E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one (CID 101376484) is (E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one.
What is the SMILES notation for (E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one?
The canonical SMILES for (E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one is CCCCCCCCCC/C=C/C(=O)CC(O[Si](C)(C)C(C)(C)C)c1ccc(OC)cc1.
What is the InChIKey of (E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one?
The InChIKey is DSHMLEFCAMQOQE-ISLYRVAYSA-N. The full InChI is InChI=1S/C28H48O3Si/c1-8-9-10-11-12-13-14-15-16-17-18-25(29)23-27(31-32(6,7)28(2,3)4)24-19-21-26(30-5)22-20-24/h17-22,27H,8-16,23H2,1-7H3/b18-17+.
What are the key properties of (E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one?
(E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one has a molecular weight of 460.78 g/mol, XLogP of 8.80, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[tert-butyl(dimethyl)silyl]oxy-1-(4-methoxyphenyl)pentadec-4-en-3-one is sourced from PubChem (CID 101376484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).