bis(2-methylpropyl)-(1-octoxypropoxy)alumane

C19H41AlO2 — CID 139905020

IUPACbis(2-methylpropyl)-(1-octoxypropoxy)alumane
SMILESCCCCCCCCOC(CC)O[Al](CC(C)C)CC(C)C
InChIInChI=1S/C11H23O2.2C4H9.Al/c1-3-5-6-7-8-9-10-13-11(12)4-2;2*1-4(2)3;/h11H,3-10H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyCHMCRDCLLMWMLZ-UHFFFAOYSA-N
MW328.52 g/mol
LogP6.42
Rot. Bonds15

About bis(2-methylpropyl)-(1-octoxypropoxy)alumane

bis(2-methylpropyl)-(1-octoxypropoxy)alumane (PubChem CID 139905020) has the molecular formula C19H41AlO2 and a molecular weight of 328.52 g/mol. Its IUPAC name is bis(2-methylpropyl)-(1-octoxypropoxy)alumane.

Molecular Properties

Compound Namebis(2-methylpropyl)-(1-octoxypropoxy)alumane
PubChem CID139905020
Molecular FormulaC19H41AlO2
Molecular Weight328.52 g/mol
Exact Mass328.29
IUPAC Namebis(2-methylpropyl)-(1-octoxypropoxy)alumane
SMILESCCCCCCCCOC(CC)O[Al](CC(C)C)CC(C)C
InChIInChI=1S/C11H23O2.2C4H9.Al/c1-3-5-6-7-8-9-10-13-11(12)4-2;2*1-4(2)3;/h11H,3-10H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyCHMCRDCLLMWMLZ-UHFFFAOYSA-N
XLogP6.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.52
LogP ≤ 56.42
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

1-butoxypropoxy-bis(2-methylpropyl)alumane
CID 139905186
diethyl(1-octoxypropoxy)alumane
CID 139905167
1-(1-propoxypropoxy)hexane
CID 89482622
1-hexoxybutoxy(dihexyl)alumane
CID 139905130
1-(4-methyl-1-nonoxypentoxy)nonane
CID 168756191
6-methyl-1,1-dioctoxyheptane
CID 171428766
1-pentan-3-yloxydecane
CID 173279604
1-(1-hexadecoxypropoxy)propan-1-ol
CID 21317072
1-methoxybutoxy-bis(2-methylpropyl)alumane
CID 139905152
1-(4-methylpentan-2-yloxy)dodecane
CID 15431041
1,1-dibutoxyoctane
CID 54557001
1-(2-methylpropoxy)tridecane
CID 91526471

Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)-(1-octoxypropoxy)alumane?
The IUPAC name of bis(2-methylpropyl)-(1-octoxypropoxy)alumane (CID 139905020) is bis(2-methylpropyl)-(1-octoxypropoxy)alumane.
What is the SMILES notation for bis(2-methylpropyl)-(1-octoxypropoxy)alumane?
The canonical SMILES for bis(2-methylpropyl)-(1-octoxypropoxy)alumane is CCCCCCCCOC(CC)O[Al](CC(C)C)CC(C)C.
What is the InChIKey of bis(2-methylpropyl)-(1-octoxypropoxy)alumane?
The InChIKey is CHMCRDCLLMWMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O2.2C4H9.Al/c1-3-5-6-7-8-9-10-13-11(12)4-2;2*1-4(2)3;/h11H,3-10H2,1-2H3;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of bis(2-methylpropyl)-(1-octoxypropoxy)alumane?
bis(2-methylpropyl)-(1-octoxypropoxy)alumane has a molecular weight of 328.52 g/mol, XLogP of 6.42, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)-(1-octoxypropoxy)alumane is sourced from PubChem (CID 139905020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).