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

C27H43NO2Si — CID 86708047

IUPAC(5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol
SMILESCC(C)CCN[C@@H](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/t24-/m0/s1
InChIKeyQMSUZPPAFRNXCK-DEOSSOPVSA-N
MW441.73 g/mol
LogP4.73
Rot. Bonds13

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

(5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol (PubChem CID 86708047) has the molecular formula C27H43NO2Si and a molecular weight of 441.73 g/mol. Its IUPAC name is (5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol.

Molecular Properties

Compound Name(5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol
PubChem CID86708047
Molecular FormulaC27H43NO2Si
Molecular Weight441.73 g/mol
Exact Mass441.31
IUPAC Name(5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol
SMILESCC(C)CCN[C@@H](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/t24-/m0/s1
InChIKeyQMSUZPPAFRNXCK-DEOSSOPVSA-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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Frequently Asked Questions

What is the IUPAC name of (5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol?
The IUPAC name of (5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol (CID 86708047) is (5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol.
What is the SMILES notation for (5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol?
The canonical SMILES for (5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol is CC(C)CCN[C@@H](CCCCO)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol?
The InChIKey is QMSUZPPAFRNXCK-DEOSSOPVSA-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/t24-/m0/s1.
What are the key properties of (5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol?
(5S)-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 (5S)-6-[tert-butyl(diphenyl)silyl]oxy-5-(3-methylbutylamino)hexan-1-ol is sourced from PubChem (CID 86708047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).