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

C11H20F2O2Si — CID 59648502

IUPAC5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC#CC(F)(F)CO
InChIInChI=1S/C11H20F2O2Si/c1-10(2,3)16(4,5)15-8-6-7-11(12,13)9-14/h14H,8-9H2,1-5H3
InChIKeyIRNAKAVXOUFQTN-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.64
Rot. Bonds3

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

5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol (PubChem CID 59648502) has the molecular formula C11H20F2O2Si and a molecular weight of 250.36 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol
PubChem CID59648502
Molecular FormulaC11H20F2O2Si
Molecular Weight250.36 g/mol
Exact Mass250.12
IUPAC Name5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC#CC(F)(F)CO
InChIInChI=1S/C11H20F2O2Si/c1-10(2,3)16(4,5)15-8-6-7-11(12,13)9-14/h14H,8-9H2,1-5H3
InChIKeyIRNAKAVXOUFQTN-UHFFFAOYSA-N
XLogP2.64
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.64
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 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol (CID 59648502) is 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol is CC(C)(C)[Si](C)(C)OCC#CC(F)(F)CO.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol?
The InChIKey is IRNAKAVXOUFQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O2Si/c1-10(2,3)16(4,5)15-8-6-7-11(12,13)9-14/h14H,8-9H2,1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol?
5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol has a molecular weight of 250.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]oxy-2,2-difluoropent-3-yn-1-ol is sourced from PubChem (CID 59648502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).