ethoxy(3-ethylpentan-3-yl)phosphinic acid

C9H21O3P — CID 88819035

IUPACethoxy(3-ethylpentan-3-yl)phosphinic acid
SMILESCCOP(=O)(O)C(CC)(CC)CC
InChIInChI=1S/C9H21O3P/c1-5-9(6-2,7-3)13(10,11)12-8-4/h5-8H2,1-4H3,(H,10,11)
InChIKeyUVJCNSOVOTZQQD-UHFFFAOYSA-N
MW208.24 g/mol
LogP3.18
Rot. Bonds6

About ethoxy(3-ethylpentan-3-yl)phosphinic acid

ethoxy(3-ethylpentan-3-yl)phosphinic acid (PubChem CID 88819035) has the molecular formula C9H21O3P and a molecular weight of 208.24 g/mol. Its IUPAC name is ethoxy(3-ethylpentan-3-yl)phosphinic acid.

Molecular Properties

Compound Nameethoxy(3-ethylpentan-3-yl)phosphinic acid
PubChem CID88819035
Molecular FormulaC9H21O3P
Molecular Weight208.24 g/mol
Exact Mass208.12
IUPAC Nameethoxy(3-ethylpentan-3-yl)phosphinic acid
SMILESCCOP(=O)(O)C(CC)(CC)CC
InChIInChI=1S/C9H21O3P/c1-5-9(6-2,7-3)13(10,11)12-8-4/h5-8H2,1-4H3,(H,10,11)
InChIKeyUVJCNSOVOTZQQD-UHFFFAOYSA-N
XLogP3.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 53.18
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

alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
alumane;ethyl dihydrogen phosphate
CID 173113989
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
CID 87495286
CID 87495286
1,1-diethoxyethyl(ethoxy)phosphinic acid
CID 150387387
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083
CID 54611578
CID 54611578
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;sulfane
CID 88774651
diethyl hydrogen phosphate;scandium
CID 54607585

Frequently Asked Questions

What is the IUPAC name of ethoxy(3-ethylpentan-3-yl)phosphinic acid?
The IUPAC name of ethoxy(3-ethylpentan-3-yl)phosphinic acid (CID 88819035) is ethoxy(3-ethylpentan-3-yl)phosphinic acid.
What is the SMILES notation for ethoxy(3-ethylpentan-3-yl)phosphinic acid?
The canonical SMILES for ethoxy(3-ethylpentan-3-yl)phosphinic acid is CCOP(=O)(O)C(CC)(CC)CC.
What is the InChIKey of ethoxy(3-ethylpentan-3-yl)phosphinic acid?
The InChIKey is UVJCNSOVOTZQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21O3P/c1-5-9(6-2,7-3)13(10,11)12-8-4/h5-8H2,1-4H3,(H,10,11).
What are the key properties of ethoxy(3-ethylpentan-3-yl)phosphinic acid?
ethoxy(3-ethylpentan-3-yl)phosphinic acid has a molecular weight of 208.24 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(3-ethylpentan-3-yl)phosphinic acid is sourced from PubChem (CID 88819035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).