1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one

C42H56NO10P — CID 170287173

IUPAC1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one
SMILESC=CCCOCCOCCOCCOCCOCCOCCOCCOCCn1c(=O)c(P(=O)(c2ccccc2)c2ccccc2)cc2cc(C)ccc21
InChIInChI=1S/C42H56NO10P/c1-3-4-18-46-20-22-48-24-26-50-28-30-52-32-33-53-31-29-51-27-25-49-23-21-47-19-17-43-40-16-15-36(2)34-37(40)35-41(42(43)44)54(45,38-11-7-5-8-12-38)39-13-9-6-10-14-39/h3,5-16,34-35H,1,4,17-33H2,2H3
InChIKeyWXORJKSNTJVIKE-UHFFFAOYSA-N
MW765.88 g/mol
LogP4.66
Rot. Bonds30

About 1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one

1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one (PubChem CID 170287173) has the molecular formula C42H56NO10P and a molecular weight of 765.88 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one.

Molecular Properties

Compound Name1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one
PubChem CID170287173
Molecular FormulaC42H56NO10P
Molecular Weight765.88 g/mol
Exact Mass765.36
IUPAC Name1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one
SMILESC=CCCOCCOCCOCCOCCOCCOCCOCCOCCn1c(=O)c(P(=O)(c2ccccc2)c2ccccc2)cc2cc(C)ccc21
InChIInChI=1S/C42H56NO10P/c1-3-4-18-46-20-22-48-24-26-50-28-30-52-32-33-53-31-29-51-27-25-49-23-21-47-19-17-43-40-16-15-36(2)34-37(40)35-41(42(43)44)54(45,38-11-7-5-8-12-38)39-13-9-6-10-14-39/h3,5-16,34-35H,1,4,17-33H2,2H3
InChIKeyWXORJKSNTJVIKE-UHFFFAOYSA-N
XLogP4.66
TPSA112.91 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds30
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.88
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-benzyl-N-(2-diphenylphosphoryl-4,6-dimethylphenyl)but-2-enamide
CID 102436121
3-Diphenylphosphoryl-1,6-dimethylquinolin-2-one
CID 132608907
3-Diphenylphosphoryl-1-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-6-methylquinolin-2-one
CID 170287177

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one?
The IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one (CID 170287173) is 1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one?
The canonical SMILES for 1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one is C=CCCOCCOCCOCCOCCOCCOCCOCCOCCn1c(=O)c(P(=O)(c2ccccc2)c2ccccc2)cc2cc(C)ccc21.
What is the InChIKey of 1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one?
The InChIKey is WXORJKSNTJVIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H56NO10P/c1-3-4-18-46-20-22-48-24-26-50-28-30-52-32-33-53-31-29-51-27-25-49-23-21-47-19-17-43-40-16-15-36(2)34-37(40)35-41(42(43)44)54(45,38-11-7-5-8-12-38)39-13-9-6-10-14-39/h3,5-16,34-35H,1,4,17-33H2,2H3.
What are the key properties of 1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one?
1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one has a molecular weight of 765.88 g/mol, XLogP of 4.66, 30 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-[2-[2-(2-but-3-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-3-diphenylphosphoryl-6-methylquinolin-2-one is sourced from PubChem (CID 170287173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).