6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol

C27H43NO2Si — CID 123627737

IUPAC6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol
SMILESCC(C)CCNC(CCCCO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H43NO2Si/c1-23(2)19-20-28-24(14-12-13-21-29)22-30-31(27(3,4)5,25-15-8-6-9-16-25)26-17-10-7-11-18-26/h6-11,15-18,23-24,28-29H,12-14,19-22H2,1-5H3
InChIKeyQMSUZPPAFRNXCK-UHFFFAOYSA-N
MW441.73 g/mol
LogP4.73
Rot. Bonds13

About 6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol

6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol (PubChem CID 123627737) has the molecular formula C27H43NO2Si and a molecular weight of 441.73 g/mol. Its IUPAC name is 6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol.

Molecular Properties

Compound Name6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol
PubChem CID123627737
Molecular FormulaC27H43NO2Si
Molecular Weight441.73 g/mol
Exact Mass441.31
IUPAC Name6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol
SMILESCC(C)CCNC(CCCCO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C27H43NO2Si/c1-23(2)19-20-28-24(14-12-13-21-29)22-30-31(27(3,4)5,25-15-8-6-9-16-25)26-17-10-7-11-18-26/h6-11,15-18,23-24,28-29H,12-14,19-22H2,1-5H3
InChIKeyQMSUZPPAFRNXCK-UHFFFAOYSA-N
XLogP4.73
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.73
LogP ≤ 54.73
H-Bond Donors ≤ 52
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

8-[tert-butyl(diphenyl)silyl]oxy-3,7-dimethyloctan-1-ol
CID 73077971
[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
CID 21062594
(6R)-7-[tert-butyl(diphenyl)silyl]oxy-6-(methoxymethoxy)heptan-1-ol
CID 11796895
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
12-[tert-butyl(diphenyl)silyl]oxydodecan-1-ol
CID 11015684
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(3S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-3,5-dimethylhexan-1-ol
CID 14704794
3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol;propane-1,3-diol
CID 161331009
8-[tert-butyl(diphenyl)silyl]oxyoct-6-yne-1,5-diol
CID 10883802
10-[tert-butyl(diphenyl)silyl]oxydec-8-yne-1,7-diol
CID 10895162
(4S,5S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-4,6-dimethyl-5-triethylsilyloxyheptan-1-ol
CID 54753539
[(2R)-5-bromo-2-methylpentoxy]-tert-butyl-diphenylsilane
CID 15282997

Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol?
The IUPAC name of 6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol (CID 123627737) is 6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol.
What is the SMILES notation for 6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol?
The canonical SMILES for 6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol is CC(C)CCNC(CCCCO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol?
The InChIKey is QMSUZPPAFRNXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43NO2Si/c1-23(2)19-20-28-24(14-12-13-21-29)22-30-31(27(3,4)5,25-15-8-6-9-16-25)26-17-10-7-11-18-26/h6-11,15-18,23-24,28-29H,12-14,19-22H2,1-5H3.
What are the key properties of 6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol?
6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol has a molecular weight of 441.73 g/mol, XLogP of 4.73, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol is sourced from PubChem (CID 123627737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).