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

C10H23AlO3 — CID 16684111

IUPACbutan-2-yloxy-di(propan-2-yloxy)alumane
SMILESCCC(C)O[Al](OC(C)C)OC(C)C
InChIInChI=1S/C4H9O.2C3H7O.Al/c1-3-4(2)5;2*1-3(2)4;/h4H,3H2,1-2H3;2*3H,1-2H3;/q3*-1;+3
InChIKeyRDASHQZXQNLNMG-UHFFFAOYSA-N
MW218.27 g/mol
LogP2.64
Rot. Bonds7

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

butan-2-yloxy-di(propan-2-yloxy)alumane (PubChem CID 16684111) has the molecular formula C10H23AlO3 and a molecular weight of 218.27 g/mol. Its IUPAC name is butan-2-yloxy-di(propan-2-yloxy)alumane.

Molecular Properties

Compound Namebutan-2-yloxy-di(propan-2-yloxy)alumane
PubChem CID16684111
Molecular FormulaC10H23AlO3
Molecular Weight218.27 g/mol
Exact Mass218.15
IUPAC Namebutan-2-yloxy-di(propan-2-yloxy)alumane
SMILESCCC(C)O[Al](OC(C)C)OC(C)C
InChIInChI=1S/C4H9O.2C3H7O.Al/c1-3-4(2)5;2*1-3(2)4;/h4H,3H2,1-2H3;2*3H,1-2H3;/q3*-1;+3
InChIKeyRDASHQZXQNLNMG-UHFFFAOYSA-N
XLogP2.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of butan-2-yloxy-di(propan-2-yloxy)alumane?
The IUPAC name of butan-2-yloxy-di(propan-2-yloxy)alumane (CID 16684111) is butan-2-yloxy-di(propan-2-yloxy)alumane.
What is the SMILES notation for butan-2-yloxy-di(propan-2-yloxy)alumane?
The canonical SMILES for butan-2-yloxy-di(propan-2-yloxy)alumane is CCC(C)O[Al](OC(C)C)OC(C)C.
What is the InChIKey of butan-2-yloxy-di(propan-2-yloxy)alumane?
The InChIKey is RDASHQZXQNLNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.2C3H7O.Al/c1-3-4(2)5;2*1-3(2)4;/h4H,3H2,1-2H3;2*3H,1-2H3;/q3*-1;+3.
What are the key properties of butan-2-yloxy-di(propan-2-yloxy)alumane?
butan-2-yloxy-di(propan-2-yloxy)alumane has a molecular weight of 218.27 g/mol, XLogP of 2.64, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yloxy-di(propan-2-yloxy)alumane is sourced from PubChem (CID 16684111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).