CID 6335748

C14H34AlO3 — CID 6335748

IUPAC—
SMILESCC(C)CCCCCO.CC(C)O.CC(C)O.[Al]
InChIInChI=1S/C8H18O.2C3H8O.Al/c1-8(2)6-4-3-5-7-9;2*1-3(2)4;/h8-9H,3-7H2,1-2H3;2*3-4H,1-2H3;
InChIKeyXPFSOEAJTRRZPG-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.59
Rot. Bonds5

About CID 6335748

CID 6335748 (PubChem CID 6335748) has the molecular formula C14H34AlO3 and a molecular weight of 277.41 g/mol.

Molecular Properties

Compound NameCID 6335748
PubChem CID6335748
Molecular FormulaC14H34AlO3
Molecular Weight277.41 g/mol
Exact Mass277.23
IUPAC Name—
SMILESCC(C)CCCCCO.CC(C)O.CC(C)O.[Al]
InChIInChI=1S/C8H18O.2C3H8O.Al/c1-8(2)6-4-3-5-7-9;2*1-3(2)4;/h8-9H,3-7H2,1-2H3;2*3-4H,1-2H3;
InChIKeyXPFSOEAJTRRZPG-UHFFFAOYSA-N
XLogP2.59
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 6335748?
The IUPAC name of CID 6335748 (CID 6335748) is not available.
What is the SMILES notation for CID 6335748?
The canonical SMILES for CID 6335748 is CC(C)CCCCCO.CC(C)O.CC(C)O.[Al].
What is the InChIKey of CID 6335748?
The InChIKey is XPFSOEAJTRRZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.2C3H8O.Al/c1-8(2)6-4-3-5-7-9;2*1-3(2)4;/h8-9H,3-7H2,1-2H3;2*3-4H,1-2H3;.
What are the key properties of CID 6335748?
CID 6335748 has a molecular weight of 277.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 6335748 is sourced from PubChem (CID 6335748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).