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

C15H28F2OSi — CID 15495758

IUPAC3,3-difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
SMILESCC(C)[Si](C#CC(F)(F)C(C)(C)O)(C(C)C)C(C)C
InChIInChI=1S/C15H28F2OSi/c1-11(2)19(12(3)4,13(5)6)10-9-15(16,17)14(7,8)18/h11-13,18H,1-8H3
InChIKeyDBQNDRFJGUUOFV-UHFFFAOYSA-N
MW290.47 g/mol
LogP4.61
Rot. Bonds4

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

3,3-difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol (PubChem CID 15495758) has the molecular formula C15H28F2OSi and a molecular weight of 290.47 g/mol. Its IUPAC name is 3,3-difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol.

Molecular Properties

Compound Name3,3-difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
PubChem CID15495758
Molecular FormulaC15H28F2OSi
Molecular Weight290.47 g/mol
Exact Mass290.19
IUPAC Name3,3-difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
SMILESCC(C)[Si](C#CC(F)(F)C(C)(C)O)(C(C)C)C(C)C
InChIInChI=1S/C15H28F2OSi/c1-11(2)19(12(3)4,13(5)6)10-9-15(16,17)14(7,8)18/h11-13,18H,1-8H3
InChIKeyDBQNDRFJGUUOFV-UHFFFAOYSA-N
XLogP4.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 54.61
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

3-Methyl-1-(trimethylsilyl)pent-1-yn-3-ol
CID 12630623
1,1,1-Trifluoro-2-(trifluoromethyl)-4-trimethylsilylbut-3-yn-2-ol
CID 22714288
1,1,1-Trifluoro-2-methyl-4-(trimethylsilyl)but-3-yn-2-ol
CID 59774880
3-Trifluoromethyl-1-trimethylsilanyl-pent-1-yn-3-ol
CID 59774905
Fluoro-2-methyl-4-triethylsilyl-but-3-yn-2-ol
CID 86693093
3-(Trifluoromethyl)-5-trimethylsilylpent-1-yn-3-ol
CID 87244259
3,3-Difluoro-1-(2-trimethylsilylethynyl)cyclobutanol
CID 131746836
4-Dimethylsilyl-1,1,1-trifluoro-2-methylbut-3-yn-2-ol
CID 148674502
1,1-Difluoro-2-methyl-4-trimethylsilylbut-3-yn-2-ol
CID 168233844
3-Fluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol
CID 10540146
4,4-Difluoro-3-methyl-6-tri(propan-2-yl)silylhex-5-yn-3-ol
CID 15495759
3-(Trifluoromethyl)-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-ol
CID 15811709

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol?
The IUPAC name of 3,3-difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol (CID 15495758) is 3,3-difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol.
What is the SMILES notation for 3,3-difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol?
The canonical SMILES for 3,3-difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol is CC(C)[Si](C#CC(F)(F)C(C)(C)O)(C(C)C)C(C)C.
What is the InChIKey of 3,3-difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol?
The InChIKey is DBQNDRFJGUUOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2OSi/c1-11(2)19(12(3)4,13(5)6)10-9-15(16,17)14(7,8)18/h11-13,18H,1-8H3.
What are the key properties of 3,3-difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol?
3,3-difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol has a molecular weight of 290.47 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methyl-5-tri(propan-2-yl)silylpent-4-yn-2-ol is sourced from PubChem (CID 15495758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).