1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol

C17H30O2Si — CID 22628511

IUPAC1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol
SMILESCc1ccc(CCC(O)CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H30O2Si/c1-14-7-9-15(10-8-14)11-12-16(18)13-19-20(5,6)17(2,3)4/h7-10,16,18H,11-13H2,1-6H3
InChIKeyLTJLZFIJZXQGGO-UHFFFAOYSA-N
MW294.51 g/mol
LogP4.31
Rot. Bonds6

About 1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol

1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol (PubChem CID 22628511) has the molecular formula C17H30O2Si and a molecular weight of 294.51 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol
PubChem CID22628511
Molecular FormulaC17H30O2Si
Molecular Weight294.51 g/mol
Exact Mass294.20
IUPAC Name1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol
SMILESCc1ccc(CCC(O)CO[Si](C)(C)C(C)(C)C)cc1
InChIInChI=1S/C17H30O2Si/c1-14-7-9-15(10-8-14)11-12-16(18)13-19-20(5,6)17(2,3)4/h7-10,16,18H,11-13H2,1-6H3
InChIKeyLTJLZFIJZXQGGO-UHFFFAOYSA-N
XLogP4.31
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.51
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-dimethyl-[(4-methylphenyl)methoxy]silane
CID 21304531
1,4-bis(4-methylphenyl)butan-2-ol
CID 63016226
1-[tert-butyl(dimethyl)silyl]oxypentan-2-ol
CID 10608878
tert-butyl-[(2R,3R)-2,3-dichloro-5-phenylpentoxy]-dimethylsilane
CID 86287443
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-5-methylhexane-2,5-diol
CID 71386840
(2S)-1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pentan-2-ol
CID 163365178
1-[4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]ethanol
CID 70662083
(2S)-1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methoxyphenoxy)butan-2-ol
CID 67318767
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
1-cyclopropyl-5-(4-methylphenyl)pentan-3-ol
CID 105105823
(2R)-1-[tert-butyl(dimethyl)silyl]oxyundecan-2-ol
CID 11266641
3-hydroxy-5-(4-methylphenyl)pentanenitrile
CID 82075409

Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol (CID 22628511) is 1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol is Cc1ccc(CCC(O)CO[Si](C)(C)C(C)(C)C)cc1.
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol?
The InChIKey is LTJLZFIJZXQGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2Si/c1-14-7-9-15(10-8-14)11-12-16(18)13-19-20(5,6)17(2,3)4/h7-10,16,18H,11-13H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol?
1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol has a molecular weight of 294.51 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]oxy-4-(4-methylphenyl)butan-2-ol is sourced from PubChem (CID 22628511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).