diethyl(1-octoxypropoxy)alumane

C15H33AlO2 — CID 139905167

IUPACdiethyl(1-octoxypropoxy)alumane
SMILESCCCCCCCCOC(CC)O[Al](CC)CC
InChIInChI=1S/C11H23O2.2C2H5.Al/c1-3-5-6-7-8-9-10-13-11(12)4-2;2*1-2;/h11H,3-10H2,1-2H3;2*1H2,2H3;/q-1;;;+1
InChIKeyDAICRGCYTNVPLP-UHFFFAOYSA-N
MW272.41 g/mol
LogP5.15
Rot. Bonds13

About diethyl(1-octoxypropoxy)alumane

diethyl(1-octoxypropoxy)alumane (PubChem CID 139905167) has the molecular formula C15H33AlO2 and a molecular weight of 272.41 g/mol. Its IUPAC name is diethyl(1-octoxypropoxy)alumane.

Molecular Properties

Compound Namediethyl(1-octoxypropoxy)alumane
PubChem CID139905167
Molecular FormulaC15H33AlO2
Molecular Weight272.41 g/mol
Exact Mass272.23
IUPAC Namediethyl(1-octoxypropoxy)alumane
SMILESCCCCCCCCOC(CC)O[Al](CC)CC
InChIInChI=1S/C11H23O2.2C2H5.Al/c1-3-5-6-7-8-9-10-13-11(12)4-2;2*1-2;/h11H,3-10H2,1-2H3;2*1H2,2H3;/q-1;;;+1
InChIKeyDAICRGCYTNVPLP-UHFFFAOYSA-N
XLogP5.15
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.41
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

bis(2-methylpropyl)-(1-octoxypropoxy)alumane
CID 139905020
1-(1-propoxypropoxy)hexane
CID 89482622
1-butoxypropoxy-bis(2-methylpropyl)alumane
CID 139905186
1-hexoxybutoxy(dihexyl)alumane
CID 139905130
1-pentan-3-yloxydecane
CID 173279604
1-(1-hexadecoxypropoxy)propan-1-ol
CID 21317072
decoxy(diethyl)alumane
CID 23362562
diethyl(octoxy)alumane
CID 71351019
1,1-dibutoxyoctane
CID 54557001
1-(4-methyl-1-nonoxypentoxy)nonane
CID 168756191
dibutyl-(1-dodecoxybutyl)-ethylphosphanium
CID 157070318
1-(difluoromethoxy)decane
CID 14400535

Frequently Asked Questions

What is the IUPAC name of diethyl(1-octoxypropoxy)alumane?
The IUPAC name of diethyl(1-octoxypropoxy)alumane (CID 139905167) is diethyl(1-octoxypropoxy)alumane.
What is the SMILES notation for diethyl(1-octoxypropoxy)alumane?
The canonical SMILES for diethyl(1-octoxypropoxy)alumane is CCCCCCCCOC(CC)O[Al](CC)CC.
What is the InChIKey of diethyl(1-octoxypropoxy)alumane?
The InChIKey is DAICRGCYTNVPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O2.2C2H5.Al/c1-3-5-6-7-8-9-10-13-11(12)4-2;2*1-2;/h11H,3-10H2,1-2H3;2*1H2,2H3;/q-1;;;+1.
What are the key properties of diethyl(1-octoxypropoxy)alumane?
diethyl(1-octoxypropoxy)alumane has a molecular weight of 272.41 g/mol, XLogP of 5.15, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(1-octoxypropoxy)alumane is sourced from PubChem (CID 139905167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).