alumane;1,8-dichlorooctane

C8H19AlCl2 — CID 173313045

IUPACalumane;1,8-dichlorooctane
SMILESClCCCCCCCCCl.[AlH3]
InChIInChI=1S/C8H16Cl2.Al.3H/c9-7-5-3-1-2-4-6-8-10;;;;/h1-8H2;;;;
InChIKeyWKURSFIKNDZMCJ-UHFFFAOYSA-N
MW213.13 g/mol
LogP2.62
Rot. Bonds7

About alumane;1,8-dichlorooctane

alumane;1,8-dichlorooctane (PubChem CID 173313045) has the molecular formula C8H19AlCl2 and a molecular weight of 213.13 g/mol. Its IUPAC name is alumane;1,8-dichlorooctane.

Molecular Properties

Compound Namealumane;1,8-dichlorooctane
PubChem CID173313045
Molecular FormulaC8H19AlCl2
Molecular Weight213.13 g/mol
Exact Mass212.07
IUPAC Namealumane;1,8-dichlorooctane
SMILESClCCCCCCCCCl.[AlH3]
InChIInChI=1S/C8H16Cl2.Al.3H/c9-7-5-3-1-2-4-6-8-10;;;;/h1-8H2;;;;
InChIKeyWKURSFIKNDZMCJ-UHFFFAOYSA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.13
LogP ≤ 52.62
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

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CID 150562107
13-chlorotridecan-1-ol
CID 12663580
1-chloropentane;tetracosane
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1-chloropentane;octacosane
CID 174937871
1-chloropentane;pentadecane
CID 174295582
1-bromo-7-chloroheptane
CID 11665662
1-chloro-12-(12-chlorododecylsulfanyl)dodecane
CID 89154844
1-chloro-6-(6-chlorohexyltellanyl)hexane
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Frequently Asked Questions

What is the IUPAC name of alumane;1,8-dichlorooctane?
The IUPAC name of alumane;1,8-dichlorooctane (CID 173313045) is alumane;1,8-dichlorooctane.
What is the SMILES notation for alumane;1,8-dichlorooctane?
The canonical SMILES for alumane;1,8-dichlorooctane is ClCCCCCCCCCl.[AlH3].
What is the InChIKey of alumane;1,8-dichlorooctane?
The InChIKey is WKURSFIKNDZMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2.Al.3H/c9-7-5-3-1-2-4-6-8-10;;;;/h1-8H2;;;;.
What are the key properties of alumane;1,8-dichlorooctane?
alumane;1,8-dichlorooctane has a molecular weight of 213.13 g/mol, XLogP of 2.62, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;1,8-dichlorooctane is sourced from PubChem (CID 173313045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).