dihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate

C11H25O5P2+ — CID 174865469

IUPACdihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate
SMILESCCCC(CCC)(CCC)C(=O)OP.O=[P+](O)O
InChIInChI=1S/C11H23O2P.HO3P/c1-4-7-11(8-5-2,9-6-3)10(12)13-14;1-4(2)3/h4-9,14H2,1-3H3;(H-,1,2,3)/p+1
InChIKeyKSUJHFSDTUKBDZ-UHFFFAOYSA-O
MW299.26 g/mol
LogP3.33
Rot. Bonds7

About dihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate

dihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate (PubChem CID 174865469) has the molecular formula C11H25O5P2+ and a molecular weight of 299.26 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate
PubChem CID174865469
Molecular FormulaC11H25O5P2+
Molecular Weight299.26 g/mol
Exact Mass299.12
IUPAC Namedihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate
SMILESCCCC(CCC)(CCC)C(=O)OP.O=[P+](O)O
InChIInChI=1S/C11H23O2P.HO3P/c1-4-7-11(8-5-2,9-6-3)10(12)13-14;1-4(2)3/h4-9,14H2,1-3H3;(H-,1,2,3)/p+1
InChIKeyKSUJHFSDTUKBDZ-UHFFFAOYSA-O
XLogP3.33
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze dihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azane;propyl 2,2-dipropylpentanoate
CID 87112478
phosphoroso 2,2-diethylpentanoate
CID 175130857
silyl 2-ethyl-2-propylpentanoate
CID 173274588
phosphanyl 2,2-dichlorooctanoate
CID 174834008
phosphanyl 2-bromo-2-ethylbutanoate
CID 174596578
tris(dihydroxy(oxo)phosphanium);propane
CID 159543377
methyl 2,2-dipropylhept-5-ynoate
CID 57122422
methyl 2-[(dimethylamino)methyl]-2-propylpentanoate
CID 10846364
ethyl 2-ethyl-2-(hydroxymethyl)pentanoate
CID 134918854
λ2-stannane;methyl 2,2-dibutylhexanoate
CID 174859558
2-(hydroperoxymethyl)-2-propylpentanoic acid
CID 89126007
bromo 2,2-dibutylhexanoate
CID 90814131

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate?
The IUPAC name of dihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate (CID 174865469) is dihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate.
What is the SMILES notation for dihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate?
The canonical SMILES for dihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate is CCCC(CCC)(CCC)C(=O)OP.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate?
The InChIKey is KSUJHFSDTUKBDZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H23O2P.HO3P/c1-4-7-11(8-5-2,9-6-3)10(12)13-14;1-4(2)3/h4-9,14H2,1-3H3;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate?
dihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate has a molecular weight of 299.26 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;phosphanyl 2,2-dipropylpentanoate is sourced from PubChem (CID 174865469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).