butyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid

C15H31O3PSi — CID 22281267

IUPACbutyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid
SMILESCCCCP(=O)(O)C1=CC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H31O3PSi/c1-7-8-11-19(16,17)14-10-9-13(12-14)18-20(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3,(H,16,17)
InChIKeyDBAHLNKCEJRXCU-UHFFFAOYSA-N
MW318.47 g/mol
LogP5.12
Rot. Bonds6

About butyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid

butyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid (PubChem CID 22281267) has the molecular formula C15H31O3PSi and a molecular weight of 318.47 g/mol. Its IUPAC name is butyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid.

Molecular Properties

Compound Namebutyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid
PubChem CID22281267
Molecular FormulaC15H31O3PSi
Molecular Weight318.47 g/mol
Exact Mass318.18
IUPAC Namebutyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid
SMILESCCCCP(=O)(O)C1=CC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C15H31O3PSi/c1-7-8-11-19(16,17)14-10-9-13(12-14)18-20(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3,(H,16,17)
InChIKeyDBAHLNKCEJRXCU-UHFFFAOYSA-N
XLogP5.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.47
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid?
The IUPAC name of butyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid (CID 22281267) is butyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid.
What is the SMILES notation for butyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid?
The canonical SMILES for butyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid is CCCCP(=O)(O)C1=CC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of butyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid?
The InChIKey is DBAHLNKCEJRXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31O3PSi/c1-7-8-11-19(16,17)14-10-9-13(12-14)18-20(5,6)15(2,3)4/h12-13H,7-11H2,1-6H3,(H,16,17).
What are the key properties of butyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid?
butyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid has a molecular weight of 318.47 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[3-[tert-butyl(dimethyl)silyl]oxycyclopenten-1-yl]phosphinic acid is sourced from PubChem (CID 22281267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).