(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol

C12H28O2Si — CID 101479286

IUPAC(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
SMILESC[C@@H](CCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h11,13H,7-10H2,1-6H3/t11-/m0/s1
InChIKeyTVZONAHDTOLMEU-NSHDSACASA-N
MW232.44 g/mol
LogP3.56
Rot. Bonds6

About (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol

(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol (PubChem CID 101479286) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol.

Molecular Properties

Compound Name(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
PubChem CID101479286
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Name(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol
SMILESC[C@@H](CCCCO)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h11,13H,7-10H2,1-6H3/t11-/m0/s1
InChIKeyTVZONAHDTOLMEU-NSHDSACASA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol?
The IUPAC name of (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol (CID 101479286) is (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol.
What is the SMILES notation for (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol?
The canonical SMILES for (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol is C[C@@H](CCCCO)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol?
The InChIKey is TVZONAHDTOLMEU-NSHDSACASA-N. The full InChI is InChI=1S/C12H28O2Si/c1-11(9-7-8-10-13)14-15(5,6)12(2,3)4/h11,13H,7-10H2,1-6H3/t11-/m0/s1.
What are the key properties of (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol?
(5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol has a molecular weight of 232.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tert-butyl(dimethyl)silyl]oxyhexan-1-ol is sourced from PubChem (CID 101479286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).