CID 6335315

C16H34AlO5 — CID 6335315

IUPAC—
SMILESCCCCCCCC(=O)O.CCCCCCCC(=O)O.O.[Al]
InChIInChI=1S/2C8H16O2.Al.H2O/c2*1-2-3-4-5-6-7-8(9)10;;/h2*2-7H2,1H3,(H,9,10);;1H2
InChIKeyODNXPEXWTKFNEY-UHFFFAOYSA-N
MW333.43 g/mol
LogP3.66
Rot. Bonds12

About CID 6335315

CID 6335315 (PubChem CID 6335315) has the molecular formula C16H34AlO5 and a molecular weight of 333.43 g/mol.

Molecular Properties

Compound NameCID 6335315
PubChem CID6335315
Molecular FormulaC16H34AlO5
Molecular Weight333.43 g/mol
Exact Mass333.22
IUPAC Name—
SMILESCCCCCCCC(=O)O.CCCCCCCC(=O)O.O.[Al]
InChIInChI=1S/2C8H16O2.Al.H2O/c2*1-2-3-4-5-6-7-8(9)10;;/h2*2-7H2,1H3,(H,9,10);;1H2
InChIKeyODNXPEXWTKFNEY-UHFFFAOYSA-N
XLogP3.66
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
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CID 57480267
octadecanoic acid;hydrate
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octadecanoic acid;titanium;trihydrate
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CID 175440468
docosanoic acid;tetradecane
CID 157248197
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CID 71309479
docosanoic acid;bis(tetracosanoic acid)
CID 161141504
hexatriacontanoic acid
CID 87094359
tetradecanoic acid
CID 88995416
henicosane;tetracontanoic acid
CID 175935348
decanoic acid;dodecanoic acid;hexadecanoic acid;octanoic acid;tetradecanoic acid
CID 159524024

Frequently Asked Questions

What is the IUPAC name of CID 6335315?
The IUPAC name of CID 6335315 (CID 6335315) is not available.
What is the SMILES notation for CID 6335315?
The canonical SMILES for CID 6335315 is CCCCCCCC(=O)O.CCCCCCCC(=O)O.O.[Al].
What is the InChIKey of CID 6335315?
The InChIKey is ODNXPEXWTKFNEY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H16O2.Al.H2O/c2*1-2-3-4-5-6-7-8(9)10;;/h2*2-7H2,1H3,(H,9,10);;1H2.
What are the key properties of CID 6335315?
CID 6335315 has a molecular weight of 333.43 g/mol, XLogP of 3.66, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6335315 is sourced from PubChem (CID 6335315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).