hex-5-enylalumane

C6H13Al — CID 175005849

IUPAChex-5-enylalumane
SMILESC=CCCCC[AlH2]
InChIInChI=1S/C6H11.Al.2H/c1-3-5-6-4-2;;;/h3H,1-2,4-6H2;;;
InChIKeyOZJQKPRNGAVXDC-UHFFFAOYSA-N
MW112.15 g/mol
LogP1.39
Rot. Bonds4

About hex-5-enylalumane

hex-5-enylalumane (PubChem CID 175005849) has the molecular formula C6H13Al and a molecular weight of 112.15 g/mol. Its IUPAC name is hex-5-enylalumane.

Molecular Properties

Compound Namehex-5-enylalumane
PubChem CID175005849
Molecular FormulaC6H13Al
Molecular Weight112.15 g/mol
Exact Mass112.08
IUPAC Namehex-5-enylalumane
SMILESC=CCCCC[AlH2]
InChIInChI=1S/C6H11.Al.2H/c1-3-5-6-4-2;;;/h3H,1-2,4-6H2;;;
InChIKeyOZJQKPRNGAVXDC-UHFFFAOYSA-N
XLogP1.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.15
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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ethene;octa-1,7-diene;prop-1-ene
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heptahexaconta-1,23,66-triene
CID 57275880
CID 173356006
CID 173356006
hex-5-enylsilane
CID 15905503
8,8,8-trifluorooct-1-ene
CID 11008282
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CID 171781898
heptadec-16-en-1-amine
CID 15590771
octadeca-1,17-diene;tetradec-1-ene
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henicos-20-enal
CID 14559831

Frequently Asked Questions

What is the IUPAC name of hex-5-enylalumane?
The IUPAC name of hex-5-enylalumane (CID 175005849) is hex-5-enylalumane.
What is the SMILES notation for hex-5-enylalumane?
The canonical SMILES for hex-5-enylalumane is C=CCCCC[AlH2].
What is the InChIKey of hex-5-enylalumane?
The InChIKey is OZJQKPRNGAVXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11.Al.2H/c1-3-5-6-4-2;;;/h3H,1-2,4-6H2;;;.
What are the key properties of hex-5-enylalumane?
hex-5-enylalumane has a molecular weight of 112.15 g/mol, XLogP of 1.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hex-5-enylalumane is sourced from PubChem (CID 175005849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).