alumane;7,7-dimethyloctanoic acid

C10H23AlO2 — CID 174339298

IUPACalumane;7,7-dimethyloctanoic acid
SMILESCC(C)(C)CCCCCC(=O)O.[AlH3]
InChIInChI=1S/C10H20O2.Al.3H/c1-10(2,3)8-6-4-5-7-9(11)12;;;;/h4-8H2,1-3H3,(H,11,12);;;;
InChIKeyNUMGLHSLUHZNHQ-UHFFFAOYSA-N
MW202.27 g/mol
LogP1.88
Rot. Bonds5

About alumane;7,7-dimethyloctanoic acid

alumane;7,7-dimethyloctanoic acid (PubChem CID 174339298) has the molecular formula C10H23AlO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is alumane;7,7-dimethyloctanoic acid.

Molecular Properties

Compound Namealumane;7,7-dimethyloctanoic acid
PubChem CID174339298
Molecular FormulaC10H23AlO2
Molecular Weight202.27 g/mol
Exact Mass202.15
IUPAC Namealumane;7,7-dimethyloctanoic acid
SMILESCC(C)(C)CCCCCC(=O)O.[AlH3]
InChIInChI=1S/C10H20O2.Al.3H/c1-10(2,3)8-6-4-5-7-9(11)12;;;;/h4-8H2,1-3H3,(H,11,12);;;;
InChIKeyNUMGLHSLUHZNHQ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 56844010
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CID 56844104
7,7-dimethyloctanoic acid;hafnium
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7,7-dimethyloctanoic acid;mercury
CID 159526990
6,6-dimethylheptanoic acid;7,7-dimethyloctanoic acid;iron
CID 56841408
7,7-dimethyloctanoic acid;platinum
CID 174840120
calcium;7,7-dimethyloctanoic acid;dinitrate;tetrahydrate
CID 172688261
6,6-dimethylheptanoic acid;7-methyloctanoic acid
CID 158485923
copper;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 91844645
cerium;bis(7,7-dimethyloctanoic acid);8-methylnonanoic acid
CID 170846310
cobalt;7,7-dimethyloctanoic acid;6-methylheptanoic acid
CID 170845954
cobalt;7,7-dimethyloctanoic acid;7-methyloctanoic acid
CID 170845955

Frequently Asked Questions

What is the IUPAC name of alumane;7,7-dimethyloctanoic acid?
The IUPAC name of alumane;7,7-dimethyloctanoic acid (CID 174339298) is alumane;7,7-dimethyloctanoic acid.
What is the SMILES notation for alumane;7,7-dimethyloctanoic acid?
The canonical SMILES for alumane;7,7-dimethyloctanoic acid is CC(C)(C)CCCCCC(=O)O.[AlH3].
What is the InChIKey of alumane;7,7-dimethyloctanoic acid?
The InChIKey is NUMGLHSLUHZNHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2.Al.3H/c1-10(2,3)8-6-4-5-7-9(11)12;;;;/h4-8H2,1-3H3,(H,11,12);;;;.
What are the key properties of alumane;7,7-dimethyloctanoic acid?
alumane;7,7-dimethyloctanoic acid has a molecular weight of 202.27 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;7,7-dimethyloctanoic acid is sourced from PubChem (CID 174339298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).