butoxy-bis(2-methylpropyl)alumane

C12H27AlO — CID 16694179

IUPACbutoxy-bis(2-methylpropyl)alumane
SMILESCCCCO[Al](CC(C)C)CC(C)C
InChIInChI=1S/C4H9O.2C4H9.Al/c1-2-3-4-5;2*1-4(2)3;/h2-4H2,1H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyIZAOMHQHYCDRBR-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.11
Rot. Bonds8

About butoxy-bis(2-methylpropyl)alumane

butoxy-bis(2-methylpropyl)alumane (PubChem CID 16694179) has the molecular formula C12H27AlO and a molecular weight of 214.33 g/mol. Its IUPAC name is butoxy-bis(2-methylpropyl)alumane.

Molecular Properties

Compound Namebutoxy-bis(2-methylpropyl)alumane
PubChem CID16694179
Molecular FormulaC12H27AlO
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Namebutoxy-bis(2-methylpropyl)alumane
SMILESCCCCO[Al](CC(C)C)CC(C)C
InChIInChI=1S/C4H9O.2C4H9.Al/c1-2-3-4-5;2*1-4(2)3;/h2-4H2,1H3;2*4H,1H2,2-3H3;/q-1;;;+1
InChIKeyIZAOMHQHYCDRBR-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of butoxy-bis(2-methylpropyl)alumane?
The IUPAC name of butoxy-bis(2-methylpropyl)alumane (CID 16694179) is butoxy-bis(2-methylpropyl)alumane.
What is the SMILES notation for butoxy-bis(2-methylpropyl)alumane?
The canonical SMILES for butoxy-bis(2-methylpropyl)alumane is CCCCO[Al](CC(C)C)CC(C)C.
What is the InChIKey of butoxy-bis(2-methylpropyl)alumane?
The InChIKey is IZAOMHQHYCDRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.2C4H9.Al/c1-2-3-4-5;2*1-4(2)3;/h2-4H2,1H3;2*4H,1H2,2-3H3;/q-1;;;+1.
What are the key properties of butoxy-bis(2-methylpropyl)alumane?
butoxy-bis(2-methylpropyl)alumane has a molecular weight of 214.33 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-bis(2-methylpropyl)alumane is sourced from PubChem (CID 16694179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).