aluminum;1-butoxybutane;hydride

C8H21AlO — CID 174684135

IUPACaluminum;1-butoxybutane;hydride
SMILESCCCCOCCCC.[Al+3].[H-].[H-].[H-]
InChIInChI=1S/C8H18O.Al.3H/c1-3-5-7-9-8-6-4-2;;;;/h3-8H2,1-2H3;;;;/q;+3;3*-1
InChIKeyFTVTYXMMENCBOB-UHFFFAOYSA-N
MW160.24 g/mol
LogP2.56
Rot. Bonds6

About aluminum;1-butoxybutane;hydride

aluminum;1-butoxybutane;hydride (PubChem CID 174684135) has the molecular formula C8H21AlO and a molecular weight of 160.24 g/mol. Its IUPAC name is aluminum;1-butoxybutane;hydride.

Molecular Properties

Compound Namealuminum;1-butoxybutane;hydride
PubChem CID174684135
Molecular FormulaC8H21AlO
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Namealuminum;1-butoxybutane;hydride
SMILESCCCCOCCCC.[Al+3].[H-].[H-].[H-]
InChIInChI=1S/C8H18O.Al.3H/c1-3-5-7-9-8-6-4-2;;;;/h3-8H2,1-2H3;;;;/q;+3;3*-1
InChIKeyFTVTYXMMENCBOB-UHFFFAOYSA-N
XLogP2.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 52.56
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

1-butoxybutane;methoxymethane
CID 18401298
1-butoxypentane;niobium
CID 175363169
azane;1-propoxybutane
CID 87292575
1-butoxybutane;N-methylmethanamine
CID 88830911
1-butoxybutane;1-octadecoxyoctadecane
CID 174669460
1,10-bis(2-butoxyethoxy)decane
CID 90257337
1-[2-(2-butoxyethylperoxy)ethoxy]butane
CID 19809275
1-butoxydotriacontane
CID 91693232
methane;1-propoxybutane
CID 162202436
ethane;1-(2-propoxyethoxy)butane
CID 164535746
1-butoxybutane;triiodoalumane
CID 139244108
1-decoxydocosane
CID 87077677

Frequently Asked Questions

What is the IUPAC name of aluminum;1-butoxybutane;hydride?
The IUPAC name of aluminum;1-butoxybutane;hydride (CID 174684135) is aluminum;1-butoxybutane;hydride.
What is the SMILES notation for aluminum;1-butoxybutane;hydride?
The canonical SMILES for aluminum;1-butoxybutane;hydride is CCCCOCCCC.[Al+3].[H-].[H-].[H-].
What is the InChIKey of aluminum;1-butoxybutane;hydride?
The InChIKey is FTVTYXMMENCBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.Al.3H/c1-3-5-7-9-8-6-4-2;;;;/h3-8H2,1-2H3;;;;/q;+3;3*-1.
What are the key properties of aluminum;1-butoxybutane;hydride?
aluminum;1-butoxybutane;hydride has a molecular weight of 160.24 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;1-butoxybutane;hydride is sourced from PubChem (CID 174684135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).