alumane;2-oxononadecanoic acid

C19H39AlO3 — CID 174495213

IUPACalumane;2-oxononadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)C(=O)O.[AlH3]
InChIInChI=1S/C19H36O3.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22;;;;/h2-17H2,1H3,(H,21,22);;;;
InChIKeyBJXPFWYNOMEFIW-UHFFFAOYSA-N
MW342.50 g/mol
LogP4.72
Rot. Bonds17

About alumane;2-oxononadecanoic acid

alumane;2-oxononadecanoic acid (PubChem CID 174495213) has the molecular formula C19H39AlO3 and a molecular weight of 342.50 g/mol. Its IUPAC name is alumane;2-oxononadecanoic acid.

Molecular Properties

Compound Namealumane;2-oxononadecanoic acid
PubChem CID174495213
Molecular FormulaC19H39AlO3
Molecular Weight342.50 g/mol
Exact Mass342.27
IUPAC Namealumane;2-oxononadecanoic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)C(=O)O.[AlH3]
InChIInChI=1S/C19H36O3.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22;;;;/h2-17H2,1H3,(H,21,22);;;;
InChIKeyBJXPFWYNOMEFIW-UHFFFAOYSA-N
XLogP4.72
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 5312932
2-oxoheptadecanoic acid
CID 5312901
chromium;2-oxooctanoic acid
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CID 88811226
nonatriacontane-16,17-dione
CID 175447711
octadecane-9,10-dione
CID 10902085
12,13-dioxodocosanoic acid
CID 139775715
2,4-dioxodecanoic acid
CID 21475711
alumane;tridecanoic acid
CID 174847518
icosane;oxalic acid
CID 175691290
(E)-2,3-dioctadecylbut-2-enedioic acid
CID 87238050
bis(chromium(3+));hexakis(tetradecanoate)
CID 161038412

Frequently Asked Questions

What is the IUPAC name of alumane;2-oxononadecanoic acid?
The IUPAC name of alumane;2-oxononadecanoic acid (CID 174495213) is alumane;2-oxononadecanoic acid.
What is the SMILES notation for alumane;2-oxononadecanoic acid?
The canonical SMILES for alumane;2-oxononadecanoic acid is CCCCCCCCCCCCCCCCCC(=O)C(=O)O.[AlH3].
What is the InChIKey of alumane;2-oxononadecanoic acid?
The InChIKey is BJXPFWYNOMEFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)19(21)22;;;;/h2-17H2,1H3,(H,21,22);;;;.
What are the key properties of alumane;2-oxononadecanoic acid?
alumane;2-oxononadecanoic acid has a molecular weight of 342.50 g/mol, XLogP of 4.72, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-oxononadecanoic acid is sourced from PubChem (CID 174495213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).