6-[tert-butyl(dimethyl)silyl]hex-5-yn-1-ol

C12H24OSi — CID 14937281

IUPAC6-[tert-butyl(dimethyl)silyl]hex-5-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)C#CCCCCO
InChIInChI=1S/C12H24OSi/c1-12(2,3)14(4,5)11-9-7-6-8-10-13/h13H,6-8,10H2,1-5H3
InChIKeyFPIMYOADSWRXNJ-UHFFFAOYSA-N
MW212.41 g/mol
LogP3.20
Rot. Bonds3

About 6-[tert-butyl(dimethyl)silyl]hex-5-yn-1-ol

6-[tert-butyl(dimethyl)silyl]hex-5-yn-1-ol (PubChem CID 14937281) has the molecular formula C12H24OSi and a molecular weight of 212.41 g/mol. Its IUPAC name is 6-[tert-butyl(dimethyl)silyl]hex-5-yn-1-ol.

Molecular Properties

Compound Name6-[tert-butyl(dimethyl)silyl]hex-5-yn-1-ol
PubChem CID14937281
Molecular FormulaC12H24OSi
Molecular Weight212.41 g/mol
Exact Mass212.16
IUPAC Name6-[tert-butyl(dimethyl)silyl]hex-5-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)C#CCCCCO
InChIInChI=1S/C12H24OSi/c1-12(2,3)14(4,5)11-9-7-6-8-10-13/h13H,6-8,10H2,1-5H3
InChIKeyFPIMYOADSWRXNJ-UHFFFAOYSA-N
XLogP3.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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]hex-5-yn-1-ol?
The IUPAC name of 6-[tert-butyl(dimethyl)silyl]hex-5-yn-1-ol (CID 14937281) is 6-[tert-butyl(dimethyl)silyl]hex-5-yn-1-ol.
What is the SMILES notation for 6-[tert-butyl(dimethyl)silyl]hex-5-yn-1-ol?
The canonical SMILES for 6-[tert-butyl(dimethyl)silyl]hex-5-yn-1-ol is CC(C)(C)[Si](C)(C)C#CCCCCO.
What is the InChIKey of 6-[tert-butyl(dimethyl)silyl]hex-5-yn-1-ol?
The InChIKey is FPIMYOADSWRXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24OSi/c1-12(2,3)14(4,5)11-9-7-6-8-10-13/h13H,6-8,10H2,1-5H3.
What are the key properties of 6-[tert-butyl(dimethyl)silyl]hex-5-yn-1-ol?
6-[tert-butyl(dimethyl)silyl]hex-5-yn-1-ol has a molecular weight of 212.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[tert-butyl(dimethyl)silyl]hex-5-yn-1-ol is sourced from PubChem (CID 14937281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).