alumane;butyl(4,4-dichlorobutyl)alumane

C8H20Al2Cl2 — CID 175059334

IUPACalumane;butyl(4,4-dichlorobutyl)alumane
SMILESCCCC[AlH]CCCC(Cl)Cl.[AlH3]
InChIInChI=1S/C4H7Cl2.C4H9.2Al.4H/c1-2-3-4(5)6;1-3-4-2;;;;;;/h4H,1-3H2;1,3-4H2,2H3;;;;;;
InChIKeyDRCSKBFQLFOTDY-UHFFFAOYSA-N
MW241.12 g/mol
LogP2.46
Rot. Bonds7

About alumane;butyl(4,4-dichlorobutyl)alumane

alumane;butyl(4,4-dichlorobutyl)alumane (PubChem CID 175059334) has the molecular formula C8H20Al2Cl2 and a molecular weight of 241.12 g/mol. Its IUPAC name is alumane;butyl(4,4-dichlorobutyl)alumane.

Molecular Properties

Compound Namealumane;butyl(4,4-dichlorobutyl)alumane
PubChem CID175059334
Molecular FormulaC8H20Al2Cl2
Molecular Weight241.12 g/mol
Exact Mass240.06
IUPAC Namealumane;butyl(4,4-dichlorobutyl)alumane
SMILESCCCC[AlH]CCCC(Cl)Cl.[AlH3]
InChIInChI=1S/C4H7Cl2.C4H9.2Al.4H/c1-2-3-4(5)6;1-3-4-2;;;;;;/h4H,1-3H2;1,3-4H2,2H3;;;;;;
InChIKeyDRCSKBFQLFOTDY-UHFFFAOYSA-N
XLogP2.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.12
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-dichloropentane;gallane
CID 174452216
1,1-dichloroheptane
CID 13184
1,1,6,6-tetrachlorohexane
CID 87407260
dihexylalumane;hydrochloride
CID 175022158
tributyl(4,4-dichlorobutyl)azanium chloride
CID 158270189
butan-1-ol;1,1-dichloroheptane
CID 88631006
1,1,37,37-tetrachloro-19-pentylheptatriaconta-9,28-diene
CID 54235384
(5S,6R)-5-chloro-6-iododecane
CID 15584088
chloroform;pentane
CID 19858055
6,6-dichlorohexoxy(dipropoxy)silane
CID 173438179
1-chlorohexadecan-1-ol
CID 87967130
2,2-dichloroethylalumane;hexane
CID 175115338

Frequently Asked Questions

What is the IUPAC name of alumane;butyl(4,4-dichlorobutyl)alumane?
The IUPAC name of alumane;butyl(4,4-dichlorobutyl)alumane (CID 175059334) is alumane;butyl(4,4-dichlorobutyl)alumane.
What is the SMILES notation for alumane;butyl(4,4-dichlorobutyl)alumane?
The canonical SMILES for alumane;butyl(4,4-dichlorobutyl)alumane is CCCC[AlH]CCCC(Cl)Cl.[AlH3].
What is the InChIKey of alumane;butyl(4,4-dichlorobutyl)alumane?
The InChIKey is DRCSKBFQLFOTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2.C4H9.2Al.4H/c1-2-3-4(5)6;1-3-4-2;;;;;;/h4H,1-3H2;1,3-4H2,2H3;;;;;;.
What are the key properties of alumane;butyl(4,4-dichlorobutyl)alumane?
alumane;butyl(4,4-dichlorobutyl)alumane has a molecular weight of 241.12 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;butyl(4,4-dichlorobutyl)alumane is sourced from PubChem (CID 175059334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).