alumane;2,2-di(propan-2-yloxy)butanoic acid

C10H23AlO4 — CID 174388834

IUPACalumane;2,2-di(propan-2-yloxy)butanoic acid
SMILESCCC(OC(C)C)(OC(C)C)C(=O)O.[AlH3]
InChIInChI=1S/C10H20O4.Al.3H/c1-6-10(9(11)12,13-7(2)3)14-8(4)5;;;;/h7-8H,6H2,1-5H3,(H,11,12);;;;
InChIKeyIPCRLFWJWJBLQQ-UHFFFAOYSA-N
MW234.27 g/mol
LogP0.84
Rot. Bonds6

About alumane;2,2-di(propan-2-yloxy)butanoic acid

alumane;2,2-di(propan-2-yloxy)butanoic acid (PubChem CID 174388834) has the molecular formula C10H23AlO4 and a molecular weight of 234.27 g/mol. Its IUPAC name is alumane;2,2-di(propan-2-yloxy)butanoic acid.

Molecular Properties

Compound Namealumane;2,2-di(propan-2-yloxy)butanoic acid
PubChem CID174388834
Molecular FormulaC10H23AlO4
Molecular Weight234.27 g/mol
Exact Mass234.14
IUPAC Namealumane;2,2-di(propan-2-yloxy)butanoic acid
SMILESCCC(OC(C)C)(OC(C)C)C(=O)O.[AlH3]
InChIInChI=1S/C10H20O4.Al.3H/c1-6-10(9(11)12,13-7(2)3)14-8(4)5;;;;/h7-8H,6H2,1-5H3,(H,11,12);;;;
InChIKeyIPCRLFWJWJBLQQ-UHFFFAOYSA-N
XLogP0.84
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

8-methyl-2,2-di(propan-2-yloxy)nonanoic acid
CID 151292134
2-acetyl-3-oxo-2-propan-2-yloxybutanoic acid;alumane
CID 175090466
alumane;3-oxo-2,2-di(propan-2-yloxy)pentanenitrile
CID 174386789
2,2,3,3-tetraethylbutanedioic acid
CID 23424098
2-methyl-2-propan-2-yloxy-1-silylbutan-1-one
CID 173236358
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
propyl 2-methyl-2-propan-2-yloxypropanoate
CID 174484863
2-ethyl-2-(2-propan-2-yloxyethyl)propanedioic acid
CID 59323519
2,2-diphenoxybutanoic acid
CID 159827255
2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid
CID 114987810
2,3-diethyl-2,3-dihydroxybutanedioic acid;propan-2-ol
CID 134329051
2-ethyl-2-(propan-2-yloxycarbonylamino)butanoic acid
CID 79806625

Frequently Asked Questions

What is the IUPAC name of alumane;2,2-di(propan-2-yloxy)butanoic acid?
The IUPAC name of alumane;2,2-di(propan-2-yloxy)butanoic acid (CID 174388834) is alumane;2,2-di(propan-2-yloxy)butanoic acid.
What is the SMILES notation for alumane;2,2-di(propan-2-yloxy)butanoic acid?
The canonical SMILES for alumane;2,2-di(propan-2-yloxy)butanoic acid is CCC(OC(C)C)(OC(C)C)C(=O)O.[AlH3].
What is the InChIKey of alumane;2,2-di(propan-2-yloxy)butanoic acid?
The InChIKey is IPCRLFWJWJBLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O4.Al.3H/c1-6-10(9(11)12,13-7(2)3)14-8(4)5;;;;/h7-8H,6H2,1-5H3,(H,11,12);;;;.
What are the key properties of alumane;2,2-di(propan-2-yloxy)butanoic acid?
alumane;2,2-di(propan-2-yloxy)butanoic acid has a molecular weight of 234.27 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2,2-di(propan-2-yloxy)butanoic acid is sourced from PubChem (CID 174388834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).