ethoxy(2,4,4-trimethylpentyl)phosphinic acid

C10H23O3P — CID 87604919

IUPACethoxy(2,4,4-trimethylpentyl)phosphinic acid
SMILESCCOP(=O)(O)CC(C)CC(C)(C)C
InChIInChI=1S/C10H23O3P/c1-6-13-14(11,12)8-9(2)7-10(3,4)5/h9H,6-8H2,1-5H3,(H,11,12)
InChIKeyWIKIZBIQTAHHAT-UHFFFAOYSA-N
MW222.26 g/mol
LogP3.28
Rot. Bonds5

About ethoxy(2,4,4-trimethylpentyl)phosphinic acid

ethoxy(2,4,4-trimethylpentyl)phosphinic acid (PubChem CID 87604919) has the molecular formula C10H23O3P and a molecular weight of 222.26 g/mol. Its IUPAC name is ethoxy(2,4,4-trimethylpentyl)phosphinic acid.

Molecular Properties

Compound Nameethoxy(2,4,4-trimethylpentyl)phosphinic acid
PubChem CID87604919
Molecular FormulaC10H23O3P
Molecular Weight222.26 g/mol
Exact Mass222.14
IUPAC Nameethoxy(2,4,4-trimethylpentyl)phosphinic acid
SMILESCCOP(=O)(O)CC(C)CC(C)(C)C
InChIInChI=1S/C10H23O3P/c1-6-13-14(11,12)8-9(2)7-10(3,4)5/h9H,6-8H2,1-5H3,(H,11,12)
InChIKeyWIKIZBIQTAHHAT-UHFFFAOYSA-N
XLogP3.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5,5-trimethylhexoxy(3,5,5-trimethylhexyl)phosphinic acid
CID 57284798
bis[(2S)-2,4,4-trimethylpentyl]phosphinate
CID 86306261
ethoxy(fluoromethyl)phosphinic acid
CID 150160120
ethane;2,2,4,6,6-pentamethylheptane
CID 142211592
CID 87274277
CID 87274277
trihexyl-tetradecyl-[2,4,4-trimethylpentoxy(2,4,4-trimethylpentyl)phosphoryl]-λ5-phosphane
CID 87080362
bis(2,4,4-trimethylpentyl)phosphinate;tributyl(methyl)phosphanium
CID 87080900
2-ethylhexyl(2,4,4-trimethylpentan-2-yl)phosphinic acid;2,4,4-trimethylpentan-2-yl(2,4,4-trimethylpentyl)phosphinic acid
CID 158880540
azane;[ethoxy(hydroxy)phosphoryl] ethyl hydrogen phosphate
CID 173014442
ethoxy(methylaminomethyl)phosphinic acid
CID 88509213
(3R)-3,5,5-trimethylhexanoyl chloride
CID 7171810
ethoxy-(3-methyl-2-oxooctyl)phosphinic acid
CID 88658176

Frequently Asked Questions

What is the IUPAC name of ethoxy(2,4,4-trimethylpentyl)phosphinic acid?
The IUPAC name of ethoxy(2,4,4-trimethylpentyl)phosphinic acid (CID 87604919) is ethoxy(2,4,4-trimethylpentyl)phosphinic acid.
What is the SMILES notation for ethoxy(2,4,4-trimethylpentyl)phosphinic acid?
The canonical SMILES for ethoxy(2,4,4-trimethylpentyl)phosphinic acid is CCOP(=O)(O)CC(C)CC(C)(C)C.
What is the InChIKey of ethoxy(2,4,4-trimethylpentyl)phosphinic acid?
The InChIKey is WIKIZBIQTAHHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O3P/c1-6-13-14(11,12)8-9(2)7-10(3,4)5/h9H,6-8H2,1-5H3,(H,11,12).
What are the key properties of ethoxy(2,4,4-trimethylpentyl)phosphinic acid?
ethoxy(2,4,4-trimethylpentyl)phosphinic acid has a molecular weight of 222.26 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(2,4,4-trimethylpentyl)phosphinic acid is sourced from PubChem (CID 87604919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).