5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol

C12H19F5O2Si — CID 140786998

IUPAC5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol
SMILESC#CC(C)(O)CCO[Si](C)(C)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H19F5O2Si/c1-5-10(2,18)6-8-19-20(3,4)9-7-11(13,14)12(15,16)17/h1,18H,6-9H2,2-4H3
InChIKeyDWWZIBWQNJEXLH-UHFFFAOYSA-N
MW318.36 g/mol
LogP3.57
Rot. Bonds7

About 5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol

5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol (PubChem CID 140786998) has the molecular formula C12H19F5O2Si and a molecular weight of 318.36 g/mol. Its IUPAC name is 5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol.

Molecular Properties

Compound Name5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol
PubChem CID140786998
Molecular FormulaC12H19F5O2Si
Molecular Weight318.36 g/mol
Exact Mass318.11
IUPAC Name5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol
SMILESC#CC(C)(O)CCO[Si](C)(C)CCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H19F5O2Si/c1-5-10(2,18)6-8-19-20(3,4)9-7-11(13,14)12(15,16)17/h1,18H,6-9H2,2-4H3
InChIKeyDWWZIBWQNJEXLH-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol?
The IUPAC name of 5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol (CID 140786998) is 5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol.
What is the SMILES notation for 5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol?
The canonical SMILES for 5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol is C#CC(C)(O)CCO[Si](C)(C)CCC(F)(F)C(F)(F)F.
What is the InChIKey of 5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol?
The InChIKey is DWWZIBWQNJEXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F5O2Si/c1-5-10(2,18)6-8-19-20(3,4)9-7-11(13,14)12(15,16)17/h1,18H,6-9H2,2-4H3.
What are the key properties of 5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol?
5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol has a molecular weight of 318.36 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[dimethyl(3,3,4,4,4-pentafluorobutyl)silyl]oxy-3-methylpent-1-yn-3-ol is sourced from PubChem (CID 140786998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).