butoxy(ditert-butyl)alumane

C12H27AlO — CID 16710543

IUPACbutoxy(ditert-butyl)alumane
SMILESCCCCO[Al](C(C)(C)C)C(C)(C)C
InChIInChI=1S/C4H9O.2C4H9.Al/c1-2-3-4-5;2*1-4(2)3;/h2-4H2,1H3;2*1-3H3;/q-1;;;+1
InChIKeyQKVZCFPSKXSEOZ-UHFFFAOYSA-N
MW214.33 g/mol
LogP4.39
Rot. Bonds4

About butoxy(ditert-butyl)alumane

butoxy(ditert-butyl)alumane (PubChem CID 16710543) has the molecular formula C12H27AlO and a molecular weight of 214.33 g/mol. Its IUPAC name is butoxy(ditert-butyl)alumane.

Molecular Properties

Compound Namebutoxy(ditert-butyl)alumane
PubChem CID16710543
Molecular FormulaC12H27AlO
Molecular Weight214.33 g/mol
Exact Mass214.19
IUPAC Namebutoxy(ditert-butyl)alumane
SMILESCCCCO[Al](C(C)(C)C)C(C)(C)C
InChIInChI=1S/C4H9O.2C4H9.Al/c1-2-3-4-5;2*1-4(2)3;/h2-4H2,1H3;2*1-3H3;/q-1;;;+1
InChIKeyQKVZCFPSKXSEOZ-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.39
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(ditert-butyl)alumane?
The IUPAC name of butoxy(ditert-butyl)alumane (CID 16710543) is butoxy(ditert-butyl)alumane.
What is the SMILES notation for butoxy(ditert-butyl)alumane?
The canonical SMILES for butoxy(ditert-butyl)alumane is CCCCO[Al](C(C)(C)C)C(C)(C)C.
What is the InChIKey of butoxy(ditert-butyl)alumane?
The InChIKey is QKVZCFPSKXSEOZ-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*1-3H3;/q-1;;;+1.
What are the key properties of butoxy(ditert-butyl)alumane?
butoxy(ditert-butyl)alumane has a molecular weight of 214.33 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(ditert-butyl)alumane is sourced from PubChem (CID 16710543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).