2-ethylhexoxy-di(propan-2-yloxy)alumane

C14H31AlO3 — CID 56844092

IUPAC2-ethylhexoxy-di(propan-2-yloxy)alumane
SMILESCCCCC(CC)CO[Al](OC(C)C)OC(C)C
InChIInChI=1S/C8H17O.2C3H7O.Al/c1-3-5-6-8(4-2)7-9;2*1-3(2)4;/h8H,3-7H2,1-2H3;2*3H,1-2H3;/q3*-1;+3
InChIKeyMRXOPNQJIZJEFV-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.05
Rot. Bonds11

About 2-ethylhexoxy-di(propan-2-yloxy)alumane

2-ethylhexoxy-di(propan-2-yloxy)alumane (PubChem CID 56844092) has the molecular formula C14H31AlO3 and a molecular weight of 274.38 g/mol. Its IUPAC name is 2-ethylhexoxy-di(propan-2-yloxy)alumane.

Molecular Properties

Compound Name2-ethylhexoxy-di(propan-2-yloxy)alumane
PubChem CID56844092
Molecular FormulaC14H31AlO3
Molecular Weight274.38 g/mol
Exact Mass274.21
IUPAC Name2-ethylhexoxy-di(propan-2-yloxy)alumane
SMILESCCCCC(CC)CO[Al](OC(C)C)OC(C)C
InChIInChI=1S/C8H17O.2C3H7O.Al/c1-3-5-6-8(4-2)7-9;2*1-3(2)4;/h8H,3-7H2,1-2H3;2*3H,1-2H3;/q3*-1;+3
InChIKeyMRXOPNQJIZJEFV-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylhexoxy-di(propan-2-yloxy)alumane?
The IUPAC name of 2-ethylhexoxy-di(propan-2-yloxy)alumane (CID 56844092) is 2-ethylhexoxy-di(propan-2-yloxy)alumane.
What is the SMILES notation for 2-ethylhexoxy-di(propan-2-yloxy)alumane?
The canonical SMILES for 2-ethylhexoxy-di(propan-2-yloxy)alumane is CCCCC(CC)CO[Al](OC(C)C)OC(C)C.
What is the InChIKey of 2-ethylhexoxy-di(propan-2-yloxy)alumane?
The InChIKey is MRXOPNQJIZJEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O.2C3H7O.Al/c1-3-5-6-8(4-2)7-9;2*1-3(2)4;/h8H,3-7H2,1-2H3;2*3H,1-2H3;/q3*-1;+3.
What are the key properties of 2-ethylhexoxy-di(propan-2-yloxy)alumane?
2-ethylhexoxy-di(propan-2-yloxy)alumane has a molecular weight of 274.38 g/mol, XLogP of 4.05, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylhexoxy-di(propan-2-yloxy)alumane is sourced from PubChem (CID 56844092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).