3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol

C14H28O2Si — CID 10923160

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)CO
InChIInChI=1S/C14H28O2Si/c1-9-10-12(14(5,6)11-15)16-17(7,8)13(2,3)4/h1,12,15H,10-11H2,2-8H3
InChIKeyAKVLSMVYFVOCAU-UHFFFAOYSA-N
MW256.46 g/mol
LogP3.42
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol

3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol (PubChem CID 10923160) has the molecular formula C14H28O2Si and a molecular weight of 256.46 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol
PubChem CID10923160
Molecular FormulaC14H28O2Si
Molecular Weight256.46 g/mol
Exact Mass256.19
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol
SMILESC#CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)CO
InChIInChI=1S/C14H28O2Si/c1-9-10-12(14(5,6)11-15)16-17(7,8)13(2,3)4/h1,12,15H,10-11H2,2-8H3
InChIKeyAKVLSMVYFVOCAU-UHFFFAOYSA-N
XLogP3.42
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol (CID 10923160) is 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol is C#CCC(O[Si](C)(C)C(C)(C)C)C(C)(C)CO.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol?
The InChIKey is AKVLSMVYFVOCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2Si/c1-9-10-12(14(5,6)11-15)16-17(7,8)13(2,3)4/h1,12,15H,10-11H2,2-8H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol?
3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol has a molecular weight of 256.46 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-2,2-dimethylhex-5-yn-1-ol is sourced from PubChem (CID 10923160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).