alumane;2-methylbut-2-ene

C5H13Al — CID 174293100

IUPACalumane;2-methylbut-2-ene
SMILESCC=C(C)C.[AlH3]
InChIInChI=1S/C5H10.Al.3H/c1-4-5(2)3;;;;/h4H,1-3H3;;;;
InChIKeyQMNBXDMDFNFDNK-UHFFFAOYSA-N
MW100.14 g/mol
LogP0.79
Rot. Bonds

About alumane;2-methylbut-2-ene

alumane;2-methylbut-2-ene (PubChem CID 174293100) has the molecular formula C5H13Al and a molecular weight of 100.14 g/mol. Its IUPAC name is alumane;2-methylbut-2-ene.

Molecular Properties

Compound Namealumane;2-methylbut-2-ene
PubChem CID174293100
Molecular FormulaC5H13Al
Molecular Weight100.14 g/mol
Exact Mass100.08
IUPAC Namealumane;2-methylbut-2-ene
SMILESCC=C(C)C.[AlH3]
InChIInChI=1S/C5H10.Al.3H/c1-4-5(2)3;;;;/h4H,1-3H3;;;;
InChIKeyQMNBXDMDFNFDNK-UHFFFAOYSA-N
XLogP0.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze alumane;2-methylbut-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;hydride;2-methylbut-2-ene
CID 174648153
2-methylbut-2-ene;silane;hydrate
CID 174815005
(E)-but-2-ene;ethane;2-methylbut-2-ene
CID 144902553
acetic acid;2-methylbut-2-ene
CID 155128325
but-2-ene;2,3-dimethylbut-2-ene;2-methylbut-2-ene
CID 163787283
2-methylbut-2-ene;N-methylpropan-2-imine
CID 161325778
2-methylbut-2-ene;prop-1-ene-2-thiol
CID 156752035
2-methylbutane;bis(2-methylbut-2-ene)
CID 162288148
2,2-dimethylbutane;2-methylbut-2-ene
CID 142603024
2-methylbut-2-ene;(3E)-penta-1,3-diene
CID 6441481
2,5-dimethylhepta-2,5-dien-4-one
CID 57288955
2,5-dimethyl-4-propan-2-ylidenehepta-2,5-diene
CID 123312378

Frequently Asked Questions

What is the IUPAC name of alumane;2-methylbut-2-ene?
The IUPAC name of alumane;2-methylbut-2-ene (CID 174293100) is alumane;2-methylbut-2-ene.
What is the SMILES notation for alumane;2-methylbut-2-ene?
The canonical SMILES for alumane;2-methylbut-2-ene is CC=C(C)C.[AlH3].
What is the InChIKey of alumane;2-methylbut-2-ene?
The InChIKey is QMNBXDMDFNFDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.Al.3H/c1-4-5(2)3;;;;/h4H,1-3H3;;;;.
What are the key properties of alumane;2-methylbut-2-ene?
alumane;2-methylbut-2-ene has a molecular weight of 100.14 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;2-methylbut-2-ene is sourced from PubChem (CID 174293100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).