phosphanyl 2,2,3,3-tetramethylbutanoate

C8H17O2P — CID 141485213

IUPACphosphanyl 2,2,3,3-tetramethylbutanoate
SMILESCC(C)(C)C(C)(C)C(=O)OP
InChIInChI=1S/C8H17O2P/c1-7(2,3)8(4,5)6(9)10-11/h11H2,1-5H3
InChIKeyNRSGXLFUKRDAEN-UHFFFAOYSA-N
MW176.20 g/mol
LogP2.39
Rot. Bonds1

About phosphanyl 2,2,3,3-tetramethylbutanoate

phosphanyl 2,2,3,3-tetramethylbutanoate (PubChem CID 141485213) has the molecular formula C8H17O2P and a molecular weight of 176.20 g/mol. Its IUPAC name is phosphanyl 2,2,3,3-tetramethylbutanoate.

Molecular Properties

Compound Namephosphanyl 2,2,3,3-tetramethylbutanoate
PubChem CID141485213
Molecular FormulaC8H17O2P
Molecular Weight176.20 g/mol
Exact Mass176.10
IUPAC Namephosphanyl 2,2,3,3-tetramethylbutanoate
SMILESCC(C)(C)C(C)(C)C(=O)OP
InChIInChI=1S/C8H17O2P/c1-7(2,3)8(4,5)6(9)10-11/h11H2,1-5H3
InChIKeyNRSGXLFUKRDAEN-UHFFFAOYSA-N
XLogP2.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetramethylbutaneperoxoate
CID 53446645
phosphanyl 2,2,2-trifluoroacetate
CID 88670110
phosphanyl 2-bromo-2-ethylbutanoate
CID 174596578
butyl 2,2,3,3-tetramethylbutanoate;ethane
CID 144536204
2-[methyl-[2-(2,2,3,3-tetramethylbutanoyloxy)ethyl]amino]ethyl 2,2,3,3-tetramethylbutanoate
CID 20759309
2-cyanoethyl 2,2,3,3-tetramethylbutanoate
CID 20593685
(2,3,4,5,6-pentabromophenyl)methyl 2,2,3,3-tetramethylbutanoate
CID 154991373
2-(4-methylcyclohexyl)propan-2-yl 2,2,3,3-tetramethylbutanoate
CID 143746498
4-oxo-4-[2-(2,2,3,3-tetramethylbutanoyloxy)ethoxy]butanoic acid
CID 146297894
2-formyloxy-3-(2,2,3,3-tetramethylbutanoyloxy)butanedioic acid
CID 134244185
2,4,4,5,5-pentamethylhexan-3-one
CID 12642535
methyl 2-tert-butyl-2,3,3-trimethylbutanoate
CID 12696477

Frequently Asked Questions

What is the IUPAC name of phosphanyl 2,2,3,3-tetramethylbutanoate?
The IUPAC name of phosphanyl 2,2,3,3-tetramethylbutanoate (CID 141485213) is phosphanyl 2,2,3,3-tetramethylbutanoate.
What is the SMILES notation for phosphanyl 2,2,3,3-tetramethylbutanoate?
The canonical SMILES for phosphanyl 2,2,3,3-tetramethylbutanoate is CC(C)(C)C(C)(C)C(=O)OP.
What is the InChIKey of phosphanyl 2,2,3,3-tetramethylbutanoate?
The InChIKey is NRSGXLFUKRDAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O2P/c1-7(2,3)8(4,5)6(9)10-11/h11H2,1-5H3.
What are the key properties of phosphanyl 2,2,3,3-tetramethylbutanoate?
phosphanyl 2,2,3,3-tetramethylbutanoate has a molecular weight of 176.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 2,2,3,3-tetramethylbutanoate is sourced from PubChem (CID 141485213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).