3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol

C17H34F2OSi2 — CID 134846991

IUPAC3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
SMILESCC(C)[Si](C#CC(F)(F)C(C)(O)[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34F2OSi2/c1-13(2)22(14(3)4,15(5)6)12-11-17(18,19)16(7,20)21(8,9)10/h13-15,20H,1-10H3
InChIKeyYEBIBXVQDXBLCU-UHFFFAOYSA-N
MW348.63 g/mol
LogP5.47
Rot. Bonds5

About 3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol

3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol (PubChem CID 134846991) has the molecular formula C17H34F2OSi2 and a molecular weight of 348.63 g/mol. Its IUPAC name is 3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol.

Molecular Properties

Compound Name3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
PubChem CID134846991
Molecular FormulaC17H34F2OSi2
Molecular Weight348.63 g/mol
Exact Mass348.21
IUPAC Name3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
SMILESCC(C)[Si](C#CC(F)(F)C(C)(O)[Si](C)(C)C)(C(C)C)C(C)C
InChIInChI=1S/C17H34F2OSi2/c1-13(2)22(14(3)4,15(5)6)12-11-17(18,19)16(7,20)21(8,9)10/h13-15,20H,1-10H3
InChIKeyYEBIBXVQDXBLCU-UHFFFAOYSA-N
XLogP5.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.63
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[dimethyl(3-trimethylsilylprop-2-ynyl)silyl]-1-trimethylsilylpent-1-yn-3-ol
CID 166442571

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol?
The IUPAC name of 3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol (CID 134846991) is 3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol.
What is the SMILES notation for 3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol?
The canonical SMILES for 3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol is CC(C)[Si](C#CC(F)(F)C(C)(O)[Si](C)(C)C)(C(C)C)C(C)C.
What is the InChIKey of 3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol?
The InChIKey is YEBIBXVQDXBLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34F2OSi2/c1-13(2)22(14(3)4,15(5)6)12-11-17(18,19)16(7,20)21(8,9)10/h13-15,20H,1-10H3.
What are the key properties of 3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol?
3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol has a molecular weight of 348.63 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-trimethylsilyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol is sourced from PubChem (CID 134846991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).