1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone

C15H28O3Si — CID 134836931

IUPAC1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone
SMILESCO[C@H]1C=C(O[Si](C)(C)C(C)(C)C)CCC1C(C)=O
InChIInChI=1S/C15H28O3Si/c1-11(16)13-9-8-12(10-14(13)17-5)18-19(6,7)15(2,3)4/h10,13-14H,8-9H2,1-7H3/t13?,14-/m0/s1
InChIKeySAPAZJQCUORRGA-KZUDCZAMSA-N
MW284.47 g/mol
LogP3.91
Rot. Bonds4

About 1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone

1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone (PubChem CID 134836931) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone
PubChem CID134836931
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone
SMILESCO[C@H]1C=C(O[Si](C)(C)C(C)(C)C)CCC1C(C)=O
InChIInChI=1S/C15H28O3Si/c1-11(16)13-9-8-12(10-14(13)17-5)18-19(6,7)15(2,3)4/h10,13-14H,8-9H2,1-7H3/t13?,14-/m0/s1
InChIKeySAPAZJQCUORRGA-KZUDCZAMSA-N
XLogP3.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl (1S)-2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 14712062
methyl (1R,2S,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134889410
methyl (1R,2R,6S)-2-methoxy-6-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 134900767
Methyl-2-methoxy-4-[(trimethylsilyl)oxy]cyclohex-3-ene-1-carboxylate
CID 15496370
Ethyl 6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 17929669
(1R,2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxy-1-methylcyclohex-3-ene-1-carbaldehyde
CID 10493339
ethyl (1R,2R,6S)-6-acetyloxy-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 10882097
methyl (1R,2R)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 11230670
2-Methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carbaldehyde
CID 11470541
1-(2-Methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-en-1-yl)ethanone
CID 13429197
Methyl 2-methoxy-1-methyl-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 14712061
methyl (1R,2S)-2-methoxy-4-trimethylsilyloxycyclohex-3-ene-1-carboxylate
CID 21627993

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone?
The IUPAC name of 1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone (CID 134836931) is 1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone is CO[C@H]1C=C(O[Si](C)(C)C(C)(C)C)CCC1C(C)=O.
What is the InChIKey of 1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone?
The InChIKey is SAPAZJQCUORRGA-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-11(16)13-9-8-12(10-14(13)17-5)18-19(6,7)15(2,3)4/h10,13-14H,8-9H2,1-7H3/t13?,14-/m0/s1.
What are the key properties of 1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone?
1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone has a molecular weight of 284.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-[tert-butyl(dimethyl)silyl]oxy-2-methoxycyclohex-3-en-1-yl]ethanone is sourced from PubChem (CID 134836931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).