CID 57480267

C14H28AlO2 — CID 57480267

IUPAC—
SMILESCCCCCCCCCCCCCC(=O)O.[Al]
InChIInChI=1S/C14H28O2.Al/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);
InChIKeyPMMHQNXRSFGWJM-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.39
Rot. Bonds12

About CID 57480267

CID 57480267 (PubChem CID 57480267) has the molecular formula C14H28AlO2 and a molecular weight of 255.36 g/mol.

Molecular Properties

Compound NameCID 57480267
PubChem CID57480267
Molecular FormulaC14H28AlO2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name—
SMILESCCCCCCCCCCCCCC(=O)O.[Al]
InChIInChI=1S/C14H28O2.Al/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);
InChIKeyPMMHQNXRSFGWJM-UHFFFAOYSA-N
XLogP4.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.39
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 6328046
CID 6335315
CID 6335315
decanedioic acid;nonane
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decanoic acid
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decanoic acid;hexanedioic acid
CID 87189912
henicosane;tetracontanoic acid
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bis(decanoic acid);bis(octanoic acid)
CID 160578094
decanoic acid;bis(nonanoic acid)
CID 159376136
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

Frequently Asked Questions

What is the IUPAC name of CID 57480267?
The IUPAC name of CID 57480267 (CID 57480267) is not available.
What is the SMILES notation for CID 57480267?
The canonical SMILES for CID 57480267 is CCCCCCCCCCCCCC(=O)O.[Al].
What is the InChIKey of CID 57480267?
The InChIKey is PMMHQNXRSFGWJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.Al/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);.
What are the key properties of CID 57480267?
CID 57480267 has a molecular weight of 255.36 g/mol, XLogP of 4.39, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57480267 is sourced from PubChem (CID 57480267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).