alumane;tridecanoic acid

C13H29AlO2 — CID 174847518

IUPACalumane;tridecanoic acid
SMILESCCCCCCCCCCCCC(=O)O.[AlH3]
InChIInChI=1S/C13H26O2.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;;;;/h2-12H2,1H3,(H,14,15);;;;
InChIKeyNVCSIKNKFSVIQG-UHFFFAOYSA-N
MW244.35 g/mol
LogP3.20
Rot. Bonds11

About alumane;tridecanoic acid

alumane;tridecanoic acid (PubChem CID 174847518) has the molecular formula C13H29AlO2 and a molecular weight of 244.35 g/mol. Its IUPAC name is alumane;tridecanoic acid.

Molecular Properties

Compound Namealumane;tridecanoic acid
PubChem CID174847518
Molecular FormulaC13H29AlO2
Molecular Weight244.35 g/mol
Exact Mass244.20
IUPAC Namealumane;tridecanoic acid
SMILESCCCCCCCCCCCCC(=O)O.[AlH3]
InChIInChI=1S/C13H26O2.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;;;;/h2-12H2,1H3,(H,14,15);;;;
InChIKeyNVCSIKNKFSVIQG-UHFFFAOYSA-N
XLogP3.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.35
LogP ≤ 53.20
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

bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
henicosane;tetracontanoic acid
CID 175935348
henicosane;tricosanoic acid
CID 175935357
decanoic acid;tetradecanoic acid
CID 87611521
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024
decanoic acid;bis(dodecanoic acid)
CID 88765096
bis(hexanedioic acid);bis(tridecane)
CID 173306988
decanedioic acid;nonane
CID 25154161
decanoic acid
CID 158633075
decanoic acid;hexanedioic acid
CID 87189912
dodecanoic acid
CID 158187269

Frequently Asked Questions

What is the IUPAC name of alumane;tridecanoic acid?
The IUPAC name of alumane;tridecanoic acid (CID 174847518) is alumane;tridecanoic acid.
What is the SMILES notation for alumane;tridecanoic acid?
The canonical SMILES for alumane;tridecanoic acid is CCCCCCCCCCCCC(=O)O.[AlH3].
What is the InChIKey of alumane;tridecanoic acid?
The InChIKey is NVCSIKNKFSVIQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2.Al.3H/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15;;;;/h2-12H2,1H3,(H,14,15);;;;.
What are the key properties of alumane;tridecanoic acid?
alumane;tridecanoic acid has a molecular weight of 244.35 g/mol, XLogP of 3.20, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;tridecanoic acid is sourced from PubChem (CID 174847518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).