2-pentyloxaluminane

C9H19AlO — CID 87069930

IUPAC2-pentyloxaluminane
SMILESCCCCC[Al]1CCCCO1
InChIInChI=1S/C5H11.C4H8O.Al/c1-3-5-4-2;1-2-3-4-5;/h1,3-5H2,2H3;1-4H2;/q;-1;+1
InChIKeyDSEHJJRFDBLNKW-UHFFFAOYSA-N
MW170.23 g/mol
LogP2.98
Rot. Bonds4

About 2-pentyloxaluminane

2-pentyloxaluminane (PubChem CID 87069930) has the molecular formula C9H19AlO and a molecular weight of 170.23 g/mol. Its IUPAC name is 2-pentyloxaluminane.

Molecular Properties

Compound Name2-pentyloxaluminane
PubChem CID87069930
Molecular FormulaC9H19AlO
Molecular Weight170.23 g/mol
Exact Mass170.13
IUPAC Name2-pentyloxaluminane
SMILESCCCCC[Al]1CCCCO1
InChIInChI=1S/C5H11.C4H8O.Al/c1-3-5-4-2;1-2-3-4-5;/h1,3-5H2,2H3;1-4H2;/q;-1;+1
InChIKeyDSEHJJRFDBLNKW-UHFFFAOYSA-N
XLogP2.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-pentyloxaluminane?
The IUPAC name of 2-pentyloxaluminane (CID 87069930) is 2-pentyloxaluminane.
What is the SMILES notation for 2-pentyloxaluminane?
The canonical SMILES for 2-pentyloxaluminane is CCCCC[Al]1CCCCO1.
What is the InChIKey of 2-pentyloxaluminane?
The InChIKey is DSEHJJRFDBLNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11.C4H8O.Al/c1-3-5-4-2;1-2-3-4-5;/h1,3-5H2,2H3;1-4H2;/q;-1;+1.
What are the key properties of 2-pentyloxaluminane?
2-pentyloxaluminane has a molecular weight of 170.23 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyloxaluminane is sourced from PubChem (CID 87069930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).