dibutyl(1-phenoxypropoxy)alumane

C17H29AlO2 — CID 139905292

IUPACdibutyl(1-phenoxypropoxy)alumane
SMILESCCCC[Al](CCCC)OC(CC)Oc1ccccc1
InChIInChI=1S/C9H11O2.2C4H9.Al/c1-2-9(10)11-8-6-4-3-5-7-8;2*1-3-4-2;/h3-7,9H,2H2,1H3;2*1,3-4H2,2H3;/q-1;;;+1
InChIKeyGFUPURYQTCKAED-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.41
Rot. Bonds11

About dibutyl(1-phenoxypropoxy)alumane

dibutyl(1-phenoxypropoxy)alumane (PubChem CID 139905292) has the molecular formula C17H29AlO2 and a molecular weight of 292.40 g/mol. Its IUPAC name is dibutyl(1-phenoxypropoxy)alumane.

Molecular Properties

Compound Namedibutyl(1-phenoxypropoxy)alumane
PubChem CID139905292
Molecular FormulaC17H29AlO2
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Namedibutyl(1-phenoxypropoxy)alumane
SMILESCCCC[Al](CCCC)OC(CC)Oc1ccccc1
InChIInChI=1S/C9H11O2.2C4H9.Al/c1-2-9(10)11-8-6-4-3-5-7-8;2*1-3-4-2;/h3-7,9H,2H2,1H3;2*1,3-4H2,2H3;/q-1;;;+1
InChIKeyGFUPURYQTCKAED-UHFFFAOYSA-N
XLogP5.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

diethyl(1-phenoxypropoxy)alumane
CID 139905359
1-ethenoxypropoxybenzene
CID 20548165
dioctyl(phenoxy)alumane
CID 86089915
1-methoxydecoxybenzene
CID 24977925
undecan-6-yloxybenzene
CID 130316504
(1R)-1-phenoxypentane-1-thiol
CID 134536551
1-phenoxypentan-1-amine
CID 68557687
tetracosan-8-yloxybenzene
CID 154135377
1,3-diethoxypropane;1-phenoxybutoxybenzene
CID 175552729
[(3S,4S)-4-deuteriooctan-3-yl]oxybenzene
CID 10655951
1-(1-phenoxynonoxy)ethanol
CID 70629643
tributyl(phenoxy)phosphanium
CID 23415293

Frequently Asked Questions

What is the IUPAC name of dibutyl(1-phenoxypropoxy)alumane?
The IUPAC name of dibutyl(1-phenoxypropoxy)alumane (CID 139905292) is dibutyl(1-phenoxypropoxy)alumane.
What is the SMILES notation for dibutyl(1-phenoxypropoxy)alumane?
The canonical SMILES for dibutyl(1-phenoxypropoxy)alumane is CCCC[Al](CCCC)OC(CC)Oc1ccccc1.
What is the InChIKey of dibutyl(1-phenoxypropoxy)alumane?
The InChIKey is GFUPURYQTCKAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.2C4H9.Al/c1-2-9(10)11-8-6-4-3-5-7-8;2*1-3-4-2;/h3-7,9H,2H2,1H3;2*1,3-4H2,2H3;/q-1;;;+1.
What are the key properties of dibutyl(1-phenoxypropoxy)alumane?
dibutyl(1-phenoxypropoxy)alumane has a molecular weight of 292.40 g/mol, XLogP of 5.41, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(1-phenoxypropoxy)alumane is sourced from PubChem (CID 139905292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).