(4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one

C20H30O3Si — CID 24787730

IUPAC(4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one
SMILESCOc1ccc(COC[C@@H](C)C(=O)C#C[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H30O3Si/c1-16(19(21)12-13-24(6,7)20(2,3)4)14-23-15-17-8-10-18(22-5)11-9-17/h8-11,16H,14-15H2,1-7H3/t16-/m1/s1
InChIKeyJLJUMUWMASDYHV-MRXNPFEDSA-N
MW346.54 g/mol
LogP4.47
Rot. Bonds6

About (4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one

(4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one (PubChem CID 24787730) has the molecular formula C20H30O3Si and a molecular weight of 346.54 g/mol. Its IUPAC name is (4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one.

Molecular Properties

Compound Name(4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one
PubChem CID24787730
Molecular FormulaC20H30O3Si
Molecular Weight346.54 g/mol
Exact Mass346.20
IUPAC Name(4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one
SMILESCOc1ccc(COC[C@@H](C)C(=O)C#C[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C20H30O3Si/c1-16(19(21)12-13-24(6,7)20(2,3)4)14-23-15-17-8-10-18(22-5)11-9-17/h8-11,16H,14-15H2,1-7H3/t16-/m1/s1
InChIKeyJLJUMUWMASDYHV-MRXNPFEDSA-N
XLogP4.47
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.54
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxyphenyl)methoxy]-2-methylpentan-3-one
CID 58822506
(2R)-1-[(4-methoxyphenyl)methoxy]-2-methylhexan-3-one
CID 101074117
(2R,6R)-2,6-bis[[tert-butyl(dimethyl)silyl]oxy]-1,7-bis[(4-methoxyphenyl)methoxy]heptan-4-one
CID 11273742
(3S)-4-[(4-methoxyphenyl)methoxy]-3-methyl-1-phenylmethoxybutan-2-one
CID 10860440
(2R,3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 177467980
3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentanal
CID 58762106
tert-butyl-[(2R,3S,4S)-1-iodo-5-[(4-methoxyphenyl)methoxy]-2,4-dimethylpentan-3-yl]oxy-dimethylsilane
CID 11329357
tert-butyl-[(Z,2S,3S,4S)-6-iodo-1-[(4-methoxyphenyl)methoxy]-2,4-dimethylhex-5-en-3-yl]oxy-dimethylsilane
CID 16732701
(E,2R,3S)-6-[tert-butyl(dimethyl)silyl]oxy-1-[(4-methoxyphenyl)methoxy]-2,5-dimethylhex-4-en-3-ol
CID 134841574
(3S,4R)-3-[tert-butyl(dimethyl)silyl]oxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanal
CID 134972578
5-hydroxy-1-[(4-methoxyphenyl)methoxy]-2,4,6-trimethylhept-6-en-3-one
CID 58822522
tert-butyl (3R,4R)-3-hydroxy-5-[(4-methoxyphenyl)methoxy]-4-methylpentanoate
CID 11278776

Frequently Asked Questions

What is the IUPAC name of (4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one?
The IUPAC name of (4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one (CID 24787730) is (4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one.
What is the SMILES notation for (4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one?
The canonical SMILES for (4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one is COc1ccc(COC[C@@H](C)C(=O)C#C[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of (4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one?
The InChIKey is JLJUMUWMASDYHV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30O3Si/c1-16(19(21)12-13-24(6,7)20(2,3)4)14-23-15-17-8-10-18(22-5)11-9-17/h8-11,16H,14-15H2,1-7H3/t16-/m1/s1.
What are the key properties of (4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one?
(4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one has a molecular weight of 346.54 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-[tert-butyl(dimethyl)silyl]-5-[(4-methoxyphenyl)methoxy]-4-methylpent-1-yn-3-one is sourced from PubChem (CID 24787730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).