butoxy(dimethyl)alumane

C6H15AlO — CID 16697704

IUPACbutoxy(dimethyl)alumane
SMILESCCCCO[Al](C)C
InChIInChI=1S/C4H9O.2CH3.Al/c1-2-3-4-5;;;/h2-4H2,1H3;2*1H3;/q-1;;;+1
InChIKeyFZDXUOSYZYROKU-UHFFFAOYSA-N
MW130.17 g/mol
LogP2.05
Rot. Bonds4

About butoxy(dimethyl)alumane

butoxy(dimethyl)alumane (PubChem CID 16697704) has the molecular formula C6H15AlO and a molecular weight of 130.17 g/mol. Its IUPAC name is butoxy(dimethyl)alumane.

Molecular Properties

Compound Namebutoxy(dimethyl)alumane
PubChem CID16697704
Molecular FormulaC6H15AlO
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Namebutoxy(dimethyl)alumane
SMILESCCCCO[Al](C)C
InChIInChI=1S/C4H9O.2CH3.Al/c1-2-3-4-5;;;/h2-4H2,1H3;2*1H3;/q-1;;;+1
InChIKeyFZDXUOSYZYROKU-UHFFFAOYSA-N
XLogP2.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 52.05
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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Related Compounds

trioctoxyalumane
CID 16712392
dibutoxyalumanyl tripropyl silicate
CID 87261857
dibutoxyalumanyl triethyl silicate
CID 16704474
1-butylperoxybutane
CID 159275797
butoxymethyl(trimethyl)silane
CID 552728
CID 87860329
CID 87860329
decoxy(diethyl)alumane
CID 23362562
diethyl(octoxy)alumane
CID 71351019
1-butoxybutane;triiodoalumane
CID 139244108
1-butylperoxybutane;hydrate
CID 158567350
pentane;stannane
CID 173279416
dibutyl dipentyl silicate
CID 524713

Frequently Asked Questions

What is the IUPAC name of butoxy(dimethyl)alumane?
The IUPAC name of butoxy(dimethyl)alumane (CID 16697704) is butoxy(dimethyl)alumane.
What is the SMILES notation for butoxy(dimethyl)alumane?
The canonical SMILES for butoxy(dimethyl)alumane is CCCCO[Al](C)C.
What is the InChIKey of butoxy(dimethyl)alumane?
The InChIKey is FZDXUOSYZYROKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O.2CH3.Al/c1-2-3-4-5;;;/h2-4H2,1H3;2*1H3;/q-1;;;+1.
What are the key properties of butoxy(dimethyl)alumane?
butoxy(dimethyl)alumane has a molecular weight of 130.17 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(dimethyl)alumane is sourced from PubChem (CID 16697704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).