trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one

C17H34O2Si — CID 10870267

IUPACtrans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one
SMILESC[C@H]1CC[C@@H](CCCCO[Si](C)(C)C(C)(C)C)C(=O)C1
InChIInChI=1S/C17H34O2Si/c1-14-10-11-15(16(18)13-14)9-7-8-12-19-20(5,6)17(2,3)4/h14-15H,7-13H2,1-6H3/t14-,15+/m0/s1
InChIKeyOUVOJXDWPYFHQB-LSDHHAIUSA-N
MW298.54 g/mol
LogP5.18
Rot. Bonds6

About trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one

trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one (PubChem CID 10870267) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one.

Molecular Properties

Compound Nametrans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one
PubChem CID10870267
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Nametrans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one
SMILESC[C@H]1CC[C@@H](CCCCO[Si](C)(C)C(C)(C)C)C(=O)C1
InChIInChI=1S/C17H34O2Si/c1-14-10-11-15(16(18)13-14)9-7-8-12-19-20(5,6)17(2,3)4/h14-15H,7-13H2,1-6H3/t14-,15+/m0/s1
InChIKeyOUVOJXDWPYFHQB-LSDHHAIUSA-N
XLogP5.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10928807
N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine
CID 10805103
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197
6-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,3-dichloro-1,3a,4,5,6,6a-hexahydropentalen-2-one
CID 15053013
(4S,5R,8R)-8-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methylspiro[4.4]nonan-2-one
CID 11088211
trans-(2S,5R)-2-[(2S)-1-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxypropan-2-yl]-5-methylcyclohexan-1-one
CID 11109768
tert-butyl-[5-(1,3-dioxolan-2-yl)pentoxy]-dimethylsilane
CID 162154454
tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane
CID 175054628
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
CID 101218952
tert-butyl-dimethyl-[3-(5-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl)propoxy]silane
CID 139700392

Frequently Asked Questions

What is the IUPAC name of trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one?
The IUPAC name of trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one (CID 10870267) is trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one.
What is the SMILES notation for trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one?
The canonical SMILES for trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one is C[C@H]1CC[C@@H](CCCCO[Si](C)(C)C(C)(C)C)C(=O)C1.
What is the InChIKey of trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one?
The InChIKey is OUVOJXDWPYFHQB-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-14-10-11-15(16(18)13-14)9-7-8-12-19-20(5,6)17(2,3)4/h14-15H,7-13H2,1-6H3/t14-,15+/m0/s1.
What are the key properties of trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one?
trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one has a molecular weight of 298.54 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one is sourced from PubChem (CID 10870267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).