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

C17H36O3Si2 — CID 57130117

IUPAC1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-3-yn-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC#CC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si2/c1-16(2,3)21(7,8)19-13-11-12-15(18)14-20-22(9,10)17(4,5)6/h15,18H,13-14H2,1-10H3
InChIKeyJAXQGKDDZFUZFC-UHFFFAOYSA-N
MW344.64 g/mol
LogP4.39
Rot. Bonds5

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

1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-3-yn-2-ol (PubChem CID 57130117) has the molecular formula C17H36O3Si2 and a molecular weight of 344.64 g/mol. Its IUPAC name is 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-3-yn-2-ol.

Molecular Properties

Compound Name1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-3-yn-2-ol
PubChem CID57130117
Molecular FormulaC17H36O3Si2
Molecular Weight344.64 g/mol
Exact Mass344.22
IUPAC Name1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-3-yn-2-ol
SMILESCC(C)(C)[Si](C)(C)OCC#CC(O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C17H36O3Si2/c1-16(2,3)21(7,8)19-13-11-12-15(18)14-20-22(9,10)17(4,5)6/h15,18H,13-14H2,1-10H3
InChIKeyJAXQGKDDZFUZFC-UHFFFAOYSA-N
XLogP4.39
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-3-yn-2-ol?
The IUPAC name of 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-3-yn-2-ol (CID 57130117) is 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-3-yn-2-ol.
What is the SMILES notation for 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-3-yn-2-ol?
The canonical SMILES for 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-3-yn-2-ol is CC(C)(C)[Si](C)(C)OCC#CC(O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-3-yn-2-ol?
The InChIKey is JAXQGKDDZFUZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O3Si2/c1-16(2,3)21(7,8)19-13-11-12-15(18)14-20-22(9,10)17(4,5)6/h15,18H,13-14H2,1-10H3.
What are the key properties of 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-3-yn-2-ol?
1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-3-yn-2-ol has a molecular weight of 344.64 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-3-yn-2-ol is sourced from PubChem (CID 57130117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).