alumane;4-methyl-2-(2-methylpropyl)pentanoic acid

C10H23AlO2 — CID 173457515

IUPACalumane;4-methyl-2-(2-methylpropyl)pentanoic acid
SMILESCC(C)CC(CC(C)C)C(=O)O.[AlH3]
InChIInChI=1S/C10H20O2.Al.3H/c1-7(2)5-9(10(11)12)6-8(3)4;;;;/h7-9H,5-6H2,1-4H3,(H,11,12);;;;
InChIKeyAKFWOORBMBZTQJ-UHFFFAOYSA-N
MW202.27 g/mol
LogP1.60
Rot. Bonds5

About alumane;4-methyl-2-(2-methylpropyl)pentanoic acid

alumane;4-methyl-2-(2-methylpropyl)pentanoic acid (PubChem CID 173457515) has the molecular formula C10H23AlO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is alumane;4-methyl-2-(2-methylpropyl)pentanoic acid.

Molecular Properties

Compound Namealumane;4-methyl-2-(2-methylpropyl)pentanoic acid
PubChem CID173457515
Molecular FormulaC10H23AlO2
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Namealumane;4-methyl-2-(2-methylpropyl)pentanoic acid
SMILESCC(C)CC(CC(C)C)C(=O)O.[AlH3]
InChIInChI=1S/C10H20O2.Al.3H/c1-7(2)5-9(10(11)12)6-8(3)4;;;;/h7-9H,5-6H2,1-4H3,(H,11,12);;;;
InChIKeyAKFWOORBMBZTQJ-UHFFFAOYSA-N
XLogP1.60
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(fluoromethyl)-4-methylpentanoic acid
CID 129304901
(2R)-2-(2-methylpropyl)-4-oxopentanoic acid
CID 59074115
4-hydroxy-6-methyl-2-(2-methylpropyl)-5-oxoheptanoic acid
CID 58193304
4-methyl-2-[(3-methylbutylamino)methyl]pentanoic acid
CID 122127985
(2R)-4-methyl-2-(2,2,2-trifluoroethyl)pentanoic acid
CID 129371887
(2S)-2-(2-aminoethyl)-4-methylpentanoic acid;hydrochloride
CID 120999853
4-methyl-2-(2-methylpropoxymethyl)pentanoic acid
CID 23168896
4-methyl-2-(phosphonomethyl)pentanoic acid
CID 151960225
2,8-dimethyl-4,6-bis(2-methylpropyl)nonan-5-one
CID 174839184
2-(acetylsulfanylmethyl)-4-methylpentanoic acid
CID 13017557
2-(2-ethoxy-2-oxoethyl)-4-methylpentanoic acid
CID 14303036
2-benzyl-4-methylpentanoic acid
CID 15416243

Frequently Asked Questions

What is the IUPAC name of alumane;4-methyl-2-(2-methylpropyl)pentanoic acid?
The IUPAC name of alumane;4-methyl-2-(2-methylpropyl)pentanoic acid (CID 173457515) is alumane;4-methyl-2-(2-methylpropyl)pentanoic acid.
What is the SMILES notation for alumane;4-methyl-2-(2-methylpropyl)pentanoic acid?
The canonical SMILES for alumane;4-methyl-2-(2-methylpropyl)pentanoic acid is CC(C)CC(CC(C)C)C(=O)O.[AlH3].
What is the InChIKey of alumane;4-methyl-2-(2-methylpropyl)pentanoic acid?
The InChIKey is AKFWOORBMBZTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.Al.3H/c1-7(2)5-9(10(11)12)6-8(3)4;;;;/h7-9H,5-6H2,1-4H3,(H,11,12);;;;.
What are the key properties of alumane;4-methyl-2-(2-methylpropyl)pentanoic acid?
alumane;4-methyl-2-(2-methylpropyl)pentanoic acid has a molecular weight of 202.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;4-methyl-2-(2-methylpropyl)pentanoic acid is sourced from PubChem (CID 173457515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).