6-[tert-butyl(dimethyl)silyl]oxyhexan-2-ol

C12H28O2Si — CID 10376666

IUPAC6-[tert-butyl(dimethyl)silyl]oxyhexan-2-ol
SMILESCC(O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-11(13)9-7-8-10-14-15(5,6)12(2,3)4/h11,13H,7-10H2,1-6H3
InChIKeyBBHSBMLQQXQIRZ-UHFFFAOYSA-N
MW232.44 g/mol
LogP3.56
Rot. Bonds6

About 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-ol

6-[tert-butyl(dimethyl)silyl]oxyhexan-2-ol (PubChem CID 10376666) has the molecular formula C12H28O2Si and a molecular weight of 232.44 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-ol.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxyhexan-2-ol
PubChem CID10376666
Molecular FormulaC12H28O2Si
Molecular Weight232.44 g/mol
Exact Mass232.19
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxyhexan-2-ol
SMILESCC(O)CCCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H28O2Si/c1-11(13)9-7-8-10-14-15(5,6)12(2,3)4/h11,13H,7-10H2,1-6H3
InChIKeyBBHSBMLQQXQIRZ-UHFFFAOYSA-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 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-ol?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-ol (CID 10376666) is 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-ol.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-ol?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-ol is CC(O)CCCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-ol?
The InChIKey is BBHSBMLQQXQIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O2Si/c1-11(13)9-7-8-10-14-15(5,6)12(2,3)4/h11,13H,7-10H2,1-6H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-ol?
6-[tert-butyl(dimethyl)silyl]oxyhexan-2-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 6-[tert-butyl(dimethyl)silyl]oxyhexan-2-ol is sourced from PubChem (CID 10376666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).