(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one

C17H34O2Si — CID 131746606

IUPAC(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@]1(C)CCCC(=O)C1
InChIInChI=1S/C17H34O2Si/c1-16(2,3)20(5,6)19-13-8-7-11-17(4)12-9-10-15(18)14-17/h7-14H2,1-6H3/t17-/m1/s1
InChIKeyZQSFWVSMAOIUBE-QGZVFWFLSA-N
MW298.54 g/mol
LogP5.33
Rot. Bonds6

About (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one

(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one (PubChem CID 131746606) has the molecular formula C17H34O2Si and a molecular weight of 298.54 g/mol. Its IUPAC name is (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one.

Molecular Properties

Compound Name(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one
PubChem CID131746606
Molecular FormulaC17H34O2Si
Molecular Weight298.54 g/mol
Exact Mass298.23
IUPAC Name(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one
SMILESCC(C)(C)[Si](C)(C)OCCCC[C@]1(C)CCCC(=O)C1
InChIInChI=1S/C17H34O2Si/c1-16(2,3)20(5,6)19-13-8-7-11-17(4)12-9-10-15(18)14-17/h7-14H2,1-6H3/t17-/m1/s1
InChIKeyZQSFWVSMAOIUBE-QGZVFWFLSA-N
XLogP5.33
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 ≤ 55.33
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-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-2-prop-2-enylcyclopentan-1-one
CID 101059159
(3R)-3-methyl-3-propylcyclohexan-1-one
CID 131183126
(4R)-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-methyloxetan-2-one
CID 162507915
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
2,6-bis[4-[tert-butyl(dimethyl)silyl]oxybutyl]cyclohexan-1-one
CID 10928807
4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2,2-dimethyl-1,3-dioxan-5-one
CID 10828234
tert-butyl-(4,4-dimethylpentoxy)-dimethylsilane
CID 59819312
cis-(1R,2R)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-2-methylcyclohexan-1-ol
CID 11033471
2-but-3-enyl-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexane-1,3-dione
CID 101240480
3-methyl-3-(5-trimethylsilylpent-4-ynyl)cyclopentan-1-one
CID 25260242

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one?
The IUPAC name of (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one (CID 131746606) is (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one.
What is the SMILES notation for (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one?
The canonical SMILES for (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one is CC(C)(C)[Si](C)(C)OCCCC[C@]1(C)CCCC(=O)C1.
What is the InChIKey of (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one?
The InChIKey is ZQSFWVSMAOIUBE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H34O2Si/c1-16(2,3)20(5,6)19-13-8-7-11-17(4)12-9-10-15(18)14-17/h7-14H2,1-6H3/t17-/m1/s1.
What are the key properties of (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one?
(3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one has a molecular weight of 298.54 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[tert-butyl(dimethyl)silyl]oxybutyl]-3-methylcyclohexan-1-one is sourced from PubChem (CID 131746606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).