2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one

C26H54O3Si2 — CID 10928807

IUPAC2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCCC1CCCC(CCCCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C26H54O3Si2/c1-25(2,3)30(7,8)28-20-13-11-16-22-18-15-19-23(24(22)27)17-12-14-21-29-31(9,10)26(4,5)6/h22-23H,11-21H2,1-10H3
InChIKeyVUZALUIUWSJNFS-UHFFFAOYSA-N
MW470.89 g/mol
LogP8.36
Rot. Bonds12

About 2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one

2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one (PubChem CID 10928807) has the molecular formula C26H54O3Si2 and a molecular weight of 470.89 g/mol. Its IUPAC name is 2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one.

Molecular Properties

Compound Name2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
PubChem CID10928807
Molecular FormulaC26H54O3Si2
Molecular Weight470.89 g/mol
Exact Mass470.36
IUPAC Name2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCCC1CCCC(CCCCO[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C26H54O3Si2/c1-25(2,3)30(7,8)28-20-13-11-16-22-18-15-19-23(24(22)27)17-12-14-21-29-31(9,10)26(4,5)6/h22-23H,11-21H2,1-10H3
InChIKeyVUZALUIUWSJNFS-UHFFFAOYSA-N
XLogP8.36
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.89
LogP ≤ 58.36
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'}

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Related Compounds

trans-(2R,5S)-2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-5-methylcyclohexan-1-one
CID 10870267
N-[(E)-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentylidene]amino]-N-methylmethanamine
CID 10805103
tert-butyl-dimethyl-[4-(oxan-2-yl)butoxy]silane
CID 175054628
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
tert-butyl-[5-(1,3-dioxolan-2-yl)pentoxy]-dimethylsilane
CID 162154454
N'-[2-[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclopentyl]benzohydrazide
CID 85242696
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]cyclopentane-1,2-dione
CID 101218952
N-[6-[tert-butyl(dimethyl)silyl]oxyhexyl]cyclobutanamine
CID 71580660
tert-butyl-dimethyl-[3-(5-trimethylsilyloxy-3,4-dihydro-2H-pyran-4-yl)propoxy]silane
CID 139700392
6-[5-[tert-butyl(dimethyl)silyl]oxypentyl]-3,3-dichloro-1,3a,4,5,6,6a-hexahydropentalen-2-one
CID 15053013

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one?
The IUPAC name of 2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one (CID 10928807) is 2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one.
What is the SMILES notation for 2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one?
The canonical SMILES for 2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one is CC(C)(C)[Si](C)(C)OCCCCC1CCCC(CCCCO[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one?
The InChIKey is VUZALUIUWSJNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H54O3Si2/c1-25(2,3)30(7,8)28-20-13-11-16-22-18-15-19-23(24(22)27)17-12-14-21-29-31(9,10)26(4,5)6/h22-23H,11-21H2,1-10H3.
What are the key properties of 2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one?
2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one has a molecular weight of 470.89 g/mol, XLogP of 8.36, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one is sourced from PubChem (CID 10928807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).