aluminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate

C10H20AlO5P+2 — CID 172787226

IUPACaluminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate
SMILESCCCP(=O)([O-])C(C)C(C)C(=O)OCCO.[Al+3]
InChIInChI=1S/C10H21O5P.Al/c1-4-7-16(13,14)9(3)8(2)10(12)15-6-5-11;/h8-9,11H,4-7H2,1-3H3,(H,13,14);/q;+3/p-1
InChIKeyPBJJSRNVWVLWRA-UHFFFAOYSA-M
MW278.22 g/mol
LogP0.21
Rot. Bonds7

About aluminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate

aluminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate (PubChem CID 172787226) has the molecular formula C10H20AlO5P+2 and a molecular weight of 278.22 g/mol. Its IUPAC name is aluminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate.

Molecular Properties

Compound Namealuminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate
PubChem CID172787226
Molecular FormulaC10H20AlO5P+2
Molecular Weight278.22 g/mol
Exact Mass278.09
IUPAC Namealuminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate
SMILESCCCP(=O)([O-])C(C)C(C)C(=O)OCCO.[Al+3]
InChIInChI=1S/C10H21O5P.Al/c1-4-7-16(13,14)9(3)8(2)10(12)15-6-5-11;/h8-9,11H,4-7H2,1-3H3,(H,13,14);/q;+3/p-1
InChIKeyPBJJSRNVWVLWRA-UHFFFAOYSA-M
XLogP0.21
TPSA86.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.22
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(2-hydroxypropoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinic acid
CID 87190737
2-hydroxyethyl (2R)-2-hydroxypropanoate
CID 14273570
1-O-(2-hydroxyethyl) 3-O-octadecyl 2-methylpropanedioate
CID 153438598
propyl (2S,3R)-3-hydroxy-2-methylbutanoate
CID 57018774
sodium;hydride;2-hydroxyethyl (2S)-2-aminopropanoate
CID 174523367
propyl (2R,3S)-3-hydroxy-2-methylbutanoate
CID 57168627
propyl phosphate;bis(tetramethylphosphanium)
CID 87474534
2-hydroxyethyl 2,4-dimethylpentanoate
CID 118601483
2-hydroxyethyl 2-ethylhexanoate
CID 10397600
2-hydroxyethyl 2-propylhexanoate
CID 58491956
butyl (2R,3R)-3-hydroxy-2-methylbutanoate
CID 14360080
1-O,3-O-dibutyl 2-O-[2-(2-hydroxyethoxy)ethyl] butane-1,2,3-tricarboxylate
CID 101278972

Frequently Asked Questions

What is the IUPAC name of aluminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate?
The IUPAC name of aluminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate (CID 172787226) is aluminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate.
What is the SMILES notation for aluminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate?
The canonical SMILES for aluminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate is CCCP(=O)([O-])C(C)C(C)C(=O)OCCO.[Al+3].
What is the InChIKey of aluminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate?
The InChIKey is PBJJSRNVWVLWRA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H21O5P.Al/c1-4-7-16(13,14)9(3)8(2)10(12)15-6-5-11;/h8-9,11H,4-7H2,1-3H3,(H,13,14);/q;+3/p-1.
What are the key properties of aluminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate?
aluminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate has a molecular weight of 278.22 g/mol, XLogP of 0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum [4-(2-hydroxyethoxy)-3-methyl-4-oxobutan-2-yl]-propylphosphinate is sourced from PubChem (CID 172787226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).