carbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid

C17H37O6P — CID 88777524

IUPACcarbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid
SMILESCCCCCCOP(=O)(O)CC(CC)(CC)CCCC.O=C(O)O
InChIInChI=1S/C16H35O3P.CH2O3/c1-5-9-11-12-14-19-20(17,18)15-16(7-3,8-4)13-10-6-2;2-1(3)4/h5-15H2,1-4H3,(H,17,18);(H2,2,3,4)
InChIKeyHMAQSTUKFZBGEK-UHFFFAOYSA-N
MW368.45 g/mol
LogP5.99
Rot. Bonds13

About carbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid

carbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid (PubChem CID 88777524) has the molecular formula C17H37O6P and a molecular weight of 368.45 g/mol. Its IUPAC name is carbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid.

Molecular Properties

Compound Namecarbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid
PubChem CID88777524
Molecular FormulaC17H37O6P
Molecular Weight368.45 g/mol
Exact Mass368.23
IUPAC Namecarbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid
SMILESCCCCCCOP(=O)(O)CC(CC)(CC)CCCC.O=C(O)O
InChIInChI=1S/C16H35O3P.CH2O3/c1-5-9-11-12-14-19-20(17,18)15-16(7-3,8-4)13-10-6-2;2-1(3)4/h5-15H2,1-4H3,(H,17,18);(H2,2,3,4)
InChIKeyHMAQSTUKFZBGEK-UHFFFAOYSA-N
XLogP5.99
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.45
LogP ≤ 55.99
H-Bond Donors ≤ 53
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

butyl(decoxy)phosphinic acid
CID 139947140
heptoxy(octadecyl)phosphinic acid
CID 139947141
butyl(hexoxy)phosphinic acid
CID 15271220
decoxy(decyl)phosphinic acid;iron
CID 87601920
dodecyl(nonoxy)phosphinic acid
CID 139947157
hexyl(pentoxy)phosphinic acid
CID 139947056
iron;octadecyl dihydrogen phosphate
CID 175059517
pentatriacontyl dihydrogen phosphate
CID 164897229
octatriacontyl dihydrogen phosphate
CID 140979287
heptyl dihydrogen phosphate;octyl dihydrogen phosphate
CID 160757103
hexadecyl dihydrogen phosphate;tetradecyl dihydrogen phosphate
CID 159430233
CID 170843971
CID 170843971

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid?
The IUPAC name of carbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid (CID 88777524) is carbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid.
What is the SMILES notation for carbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid?
The canonical SMILES for carbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid is CCCCCCOP(=O)(O)CC(CC)(CC)CCCC.O=C(O)O.
What is the InChIKey of carbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid?
The InChIKey is HMAQSTUKFZBGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O3P.CH2O3/c1-5-9-11-12-14-19-20(17,18)15-16(7-3,8-4)13-10-6-2;2-1(3)4/h5-15H2,1-4H3,(H,17,18);(H2,2,3,4).
What are the key properties of carbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid?
carbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid has a molecular weight of 368.45 g/mol, XLogP of 5.99, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2,2-diethylhexyl(hexoxy)phosphinic acid is sourced from PubChem (CID 88777524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).