(tetraphenyl-λ5-phosphanyl) 2-methylpropanoate

C28H27O2P — CID 170620114

IUPAC(tetraphenyl-λ5-phosphanyl) 2-methylpropanoate
SMILESCC(C)C(=O)OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27O2P/c1-23(2)28(29)30-31(24-15-7-3-8-16-24,25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-23H,1-2H3
InChIKeyMZWVAFMVYWHSKK-UHFFFAOYSA-N
MW426.50 g/mol
LogP4.96
Rot. Bonds6

About (tetraphenyl-λ5-phosphanyl) 2-methylpropanoate

(tetraphenyl-λ5-phosphanyl) 2-methylpropanoate (PubChem CID 170620114) has the molecular formula C28H27O2P and a molecular weight of 426.50 g/mol. Its IUPAC name is (tetraphenyl-λ5-phosphanyl) 2-methylpropanoate.

Molecular Properties

Compound Name(tetraphenyl-λ5-phosphanyl) 2-methylpropanoate
PubChem CID170620114
Molecular FormulaC28H27O2P
Molecular Weight426.50 g/mol
Exact Mass426.17
IUPAC Name(tetraphenyl-λ5-phosphanyl) 2-methylpropanoate
SMILESCC(C)C(=O)OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C28H27O2P/c1-23(2)28(29)30-31(24-15-7-3-8-16-24,25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-23H,1-2H3
InChIKeyMZWVAFMVYWHSKK-UHFFFAOYSA-N
XLogP4.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 54.96
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

tetrakis(tetraphenyl-λ5-phosphanyl) benzene-1,2,4,5-tetracarboxylate
CID 139970588
2-phenylpropyl 2-methylpropanoate
CID 576240
diphenylthallanyl 2-methylpropanoate
CID 16704178
[cyclohexyl(phenyl)methyl] 2-methylpropanoate;propane
CID 158475695
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
(3-methyl-2-phenylbutanoyl) 3-methyl-2-phenylbutaneperoxoate
CID 18381033
2-(2-methylpropanoyloxy)benzoic acid
CID 54224926
ethylbenzene;methyl 2-methylpropanoate
CID 139213498
(1R)-1-phenylethanamine;propan-2-one
CID 54416751
[4-(2-methylpropanoyloxy)-3-phenylbutyl] 2-methylpropanoate
CID 123909270
[phenyl(propanoyloxy)methyl] 2-methylpropanoate
CID 58579244
benzenecarbonothioyloxymethyl 2-methylpropanoate
CID 139615023

Frequently Asked Questions

What is the IUPAC name of (tetraphenyl-λ5-phosphanyl) 2-methylpropanoate?
The IUPAC name of (tetraphenyl-λ5-phosphanyl) 2-methylpropanoate (CID 170620114) is (tetraphenyl-λ5-phosphanyl) 2-methylpropanoate.
What is the SMILES notation for (tetraphenyl-λ5-phosphanyl) 2-methylpropanoate?
The canonical SMILES for (tetraphenyl-λ5-phosphanyl) 2-methylpropanoate is CC(C)C(=O)OP(c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (tetraphenyl-λ5-phosphanyl) 2-methylpropanoate?
The InChIKey is MZWVAFMVYWHSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27O2P/c1-23(2)28(29)30-31(24-15-7-3-8-16-24,25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27/h3-23H,1-2H3.
What are the key properties of (tetraphenyl-λ5-phosphanyl) 2-methylpropanoate?
(tetraphenyl-λ5-phosphanyl) 2-methylpropanoate has a molecular weight of 426.50 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (tetraphenyl-λ5-phosphanyl) 2-methylpropanoate is sourced from PubChem (CID 170620114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).