6-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol

C12H24O2Si — CID 10561360

IUPAC6-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol
SMILESCC(O)C#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-11(13)9-7-8-10-14-15(5,6)12(2,3)4/h11,13H,8,10H2,1-6H3
InChIKeyRTTZHVVZDXMJNV-UHFFFAOYSA-N
MW228.41 g/mol
LogP2.78
Rot. Bonds3

About 6-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol

6-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol (PubChem CID 10561360) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol
PubChem CID10561360
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name6-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol
SMILESCC(O)C#CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H24O2Si/c1-11(13)9-7-8-10-14-15(5,6)12(2,3)4/h11,13H,8,10H2,1-6H3
InChIKeyRTTZHVVZDXMJNV-UHFFFAOYSA-N
XLogP2.78
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 52.78
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol (CID 10561360) is 6-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol is CC(O)C#CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol?
The InChIKey is RTTZHVVZDXMJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-11(13)9-7-8-10-14-15(5,6)12(2,3)4/h11,13H,8,10H2,1-6H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol?
6-[tert-butyl(dimethyl)silyl]oxyhex-3-yn-2-ol has a molecular weight of 228.41 g/mol, XLogP of 2.78, 3 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]oxyhex-3-yn-2-ol is sourced from PubChem (CID 10561360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).