2-(2-ethylhexoxy)-2-phosphorosoacetic acid

C10H19O4P — CID 175522090

IUPAC2-(2-ethylhexoxy)-2-phosphorosoacetic acid
SMILESCCCCC(CC)COC(P=O)C(=O)O
InChIInChI=1S/C10H19O4P/c1-3-5-6-8(4-2)7-14-10(15-13)9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyFXQNSRBUAQJQOF-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.92
Rot. Bonds9

About 2-(2-ethylhexoxy)-2-phosphorosoacetic acid

2-(2-ethylhexoxy)-2-phosphorosoacetic acid (PubChem CID 175522090) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is 2-(2-ethylhexoxy)-2-phosphorosoacetic acid.

Molecular Properties

Compound Name2-(2-ethylhexoxy)-2-phosphorosoacetic acid
PubChem CID175522090
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name2-(2-ethylhexoxy)-2-phosphorosoacetic acid
SMILESCCCCC(CC)COC(P=O)C(=O)O
InChIInChI=1S/C10H19O4P/c1-3-5-6-8(4-2)7-14-10(15-13)9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12)
InChIKeyFXQNSRBUAQJQOF-UHFFFAOYSA-N
XLogP2.92
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-ethylhexoxy)propanoic acid
CID 104875836
3-(heptan-3-yloxymethyl)heptane
CID 90211738
6,6-bis(2-ethylhexoxy)hexanoic acid
CID 174259034
acetic acid;2-ethylhexyl acetate
CID 159619780
2-(2-ethylhexoxy)acetic acid
CID 11651287
3-(difluoromethoxymethyl)heptane
CID 162429038
2,2-bis(2-ethylhexoxy)ethanol
CID 118435982
2-(2-ethylhexoxy)-3-[2-(2-ethylhexoxy)-3-hydroxypropyl]peroxypropan-1-ol
CID 87579120
1-O-[(2S)-2-ethylhexyl] 4-O-[(2R)-2-ethylhexyl] (E)-but-2-enedioate
CID 42587879
[(2R)-2-ethylhexoxy]carbonyloxy [(2S)-2-ethylhexyl] carbonate
CID 94863795
ethoxyethane;2-(2-ethylhexoxy)propane-1,3-diol
CID 87579118
carbonic acid;1-hydroperoxybutane;3-(hydroperoxymethyl)heptane
CID 173419289

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexoxy)-2-phosphorosoacetic acid?
The IUPAC name of 2-(2-ethylhexoxy)-2-phosphorosoacetic acid (CID 175522090) is 2-(2-ethylhexoxy)-2-phosphorosoacetic acid.
What is the SMILES notation for 2-(2-ethylhexoxy)-2-phosphorosoacetic acid?
The canonical SMILES for 2-(2-ethylhexoxy)-2-phosphorosoacetic acid is CCCCC(CC)COC(P=O)C(=O)O.
What is the InChIKey of 2-(2-ethylhexoxy)-2-phosphorosoacetic acid?
The InChIKey is FXQNSRBUAQJQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-3-5-6-8(4-2)7-14-10(15-13)9(11)12/h8,10H,3-7H2,1-2H3,(H,11,12).
What are the key properties of 2-(2-ethylhexoxy)-2-phosphorosoacetic acid?
2-(2-ethylhexoxy)-2-phosphorosoacetic acid has a molecular weight of 234.23 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexoxy)-2-phosphorosoacetic acid is sourced from PubChem (CID 175522090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).