bis(2-methylpropyl)alumane;ethoxyethane

C12H29AlO — CID 134978815

IUPACbis(2-methylpropyl)alumane;ethoxyethane
SMILESCC(C)C[AlH]CC(C)C.CCOCC
InChIInChI=1S/C4H10O.2C4H9.Al.H/c1-3-5-4-2;2*1-4(2)3;;/h3-4H2,1-2H3;2*4H,1H2,2-3H3;;
InChIKeyVVKBHUJQFXMTSM-UHFFFAOYSA-N
MW216.34 g/mol
LogP3.61
Rot. Bonds6

About bis(2-methylpropyl)alumane;ethoxyethane

bis(2-methylpropyl)alumane;ethoxyethane (PubChem CID 134978815) has the molecular formula C12H29AlO and a molecular weight of 216.34 g/mol. Its IUPAC name is bis(2-methylpropyl)alumane;ethoxyethane.

Molecular Properties

Compound Namebis(2-methylpropyl)alumane;ethoxyethane
PubChem CID134978815
Molecular FormulaC12H29AlO
Molecular Weight216.34 g/mol
Exact Mass216.20
IUPAC Namebis(2-methylpropyl)alumane;ethoxyethane
SMILESCC(C)C[AlH]CC(C)C.CCOCC
InChIInChI=1S/C4H10O.2C4H9.Al.H/c1-3-5-4-2;2*1-4(2)3;;/h3-4H2,1-2H3;2*4H,1H2,2-3H3;;
InChIKeyVVKBHUJQFXMTSM-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of bis(2-methylpropyl)alumane;ethoxyethane?
The IUPAC name of bis(2-methylpropyl)alumane;ethoxyethane (CID 134978815) is bis(2-methylpropyl)alumane;ethoxyethane.
What is the SMILES notation for bis(2-methylpropyl)alumane;ethoxyethane?
The canonical SMILES for bis(2-methylpropyl)alumane;ethoxyethane is CC(C)C[AlH]CC(C)C.CCOCC.
What is the InChIKey of bis(2-methylpropyl)alumane;ethoxyethane?
The InChIKey is VVKBHUJQFXMTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.2C4H9.Al.H/c1-3-5-4-2;2*1-4(2)3;;/h3-4H2,1-2H3;2*4H,1H2,2-3H3;;.
What are the key properties of bis(2-methylpropyl)alumane;ethoxyethane?
bis(2-methylpropyl)alumane;ethoxyethane has a molecular weight of 216.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylpropyl)alumane;ethoxyethane is sourced from PubChem (CID 134978815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).