ethoxy-(3-methyl-2-oxooctyl)phosphinic acid

C11H23O4P — CID 88658176

IUPACethoxy-(3-methyl-2-oxooctyl)phosphinic acid
SMILESCCCCCC(C)C(=O)CP(=O)(O)OCC
InChIInChI=1S/C11H23O4P/c1-4-6-7-8-10(3)11(12)9-16(13,14)15-5-2/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyFHCDEZSKOJNSEJ-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.99
Rot. Bonds9

About ethoxy-(3-methyl-2-oxooctyl)phosphinic acid

ethoxy-(3-methyl-2-oxooctyl)phosphinic acid (PubChem CID 88658176) has the molecular formula C11H23O4P and a molecular weight of 250.27 g/mol. Its IUPAC name is ethoxy-(3-methyl-2-oxooctyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy-(3-methyl-2-oxooctyl)phosphinic acid
PubChem CID88658176
Molecular FormulaC11H23O4P
Molecular Weight250.27 g/mol
Exact Mass250.13
IUPAC Nameethoxy-(3-methyl-2-oxooctyl)phosphinic acid
SMILESCCCCCC(C)C(=O)CP(=O)(O)OCC
InChIInChI=1S/C11H23O4P/c1-4-6-7-8-10(3)11(12)9-16(13,14)15-5-2/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyFHCDEZSKOJNSEJ-UHFFFAOYSA-N
XLogP2.99
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butane;ethoxy(hexyl)phosphinic acid
CID 174841560
ethoxy(hexyl)phosphinic acid;methanol;phosphoric acid
CID 174685262
dichloromethane;ethoxy(hexyl)phosphinic acid
CID 174578772
bis(2-methylheptadecyl) hydrogen phosphate
CID 102070249
methyl (4R)-4-methyl-3-oxotetradecanoate
CID 129409273
butyl 2-methyloctanoate
CID 54180722
dodecyl 2-methyltetradecanoate
CID 88541423
hexyl 2-methyldodecanoate
CID 174392697
(3R)-3-methyloctan-2-one
CID 158725350
ethoxy-(2-ethoxy-2-oxoethyl)phosphinic acid
CID 3613986
2-methyloctanoyl 2-methyloctaneperoxoate
CID 71367675
ethoxy-(2-methoxy-2-oxoethyl)phosphinic acid
CID 86208858

Frequently Asked Questions

What is the IUPAC name of ethoxy-(3-methyl-2-oxooctyl)phosphinic acid?
The IUPAC name of ethoxy-(3-methyl-2-oxooctyl)phosphinic acid (CID 88658176) is ethoxy-(3-methyl-2-oxooctyl)phosphinic acid.
What is the SMILES notation for ethoxy-(3-methyl-2-oxooctyl)phosphinic acid?
The canonical SMILES for ethoxy-(3-methyl-2-oxooctyl)phosphinic acid is CCCCCC(C)C(=O)CP(=O)(O)OCC.
What is the InChIKey of ethoxy-(3-methyl-2-oxooctyl)phosphinic acid?
The InChIKey is FHCDEZSKOJNSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O4P/c1-4-6-7-8-10(3)11(12)9-16(13,14)15-5-2/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of ethoxy-(3-methyl-2-oxooctyl)phosphinic acid?
ethoxy-(3-methyl-2-oxooctyl)phosphinic acid has a molecular weight of 250.27 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-(3-methyl-2-oxooctyl)phosphinic acid is sourced from PubChem (CID 88658176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).