alumane;prop-2-en-1-ol

C3H9AlO — CID 173215342

IUPACalumane;prop-2-en-1-ol
SMILESC=CCO.[AlH3]
InChIInChI=1S/C3H6O.Al.3H/c1-2-3-4;;;;/h2,4H,1,3H2;;;;
InChIKeyPHLACCSKKVVJJE-UHFFFAOYSA-N
MW88.09 g/mol
LogP-1.02
Rot. Bonds1

About alumane;prop-2-en-1-ol

alumane;prop-2-en-1-ol (PubChem CID 173215342) has the molecular formula C3H9AlO and a molecular weight of 88.09 g/mol. Its IUPAC name is alumane;prop-2-en-1-ol.

Molecular Properties

Compound Namealumane;prop-2-en-1-ol
PubChem CID173215342
Molecular FormulaC3H9AlO
Molecular Weight88.09 g/mol
Exact Mass88.05
IUPAC Namealumane;prop-2-en-1-ol
SMILESC=CCO.[AlH3]
InChIInChI=1S/C3H6O.Al.3H/c1-2-3-4;;;;/h2,4H,1,3H2;;;;
InChIKeyPHLACCSKKVVJJE-UHFFFAOYSA-N
XLogP-1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.09
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

tris(prop-2-en-1-ol);titanium
CID 177430302
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CID 173011847
tetrakis(prop-2-en-1-ol);titanium
CID 87784373
palladium;prop-2-en-1-ol
CID 174738177
methane;prop-2-en-1-ol;fluoride;hydroxide;hydrate
CID 161314513
ethenol;prop-2-en-1-ol;titanium;dihydrate
CID 88804274
ethenol;oxotitanium;prop-2-en-1-ol
CID 88804275
oxirane;prop-2-en-1-ol;hydrate
CID 175380970
prop-2-en-1-ol;1,3,5-triazine
CID 174415460
oxolane;prop-2-en-1-ol
CID 67851867
2-chloroacetic acid;prop-2-en-1-ol
CID 87152736
cyclohexane;bis(prop-2-en-1-ol);3-prop-2-enoxyprop-1-ene
CID 67065277

Frequently Asked Questions

What is the IUPAC name of alumane;prop-2-en-1-ol?
The IUPAC name of alumane;prop-2-en-1-ol (CID 173215342) is alumane;prop-2-en-1-ol.
What is the SMILES notation for alumane;prop-2-en-1-ol?
The canonical SMILES for alumane;prop-2-en-1-ol is C=CCO.[AlH3].
What is the InChIKey of alumane;prop-2-en-1-ol?
The InChIKey is PHLACCSKKVVJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.Al.3H/c1-2-3-4;;;;/h2,4H,1,3H2;;;;.
What are the key properties of alumane;prop-2-en-1-ol?
alumane;prop-2-en-1-ol has a molecular weight of 88.09 g/mol, XLogP of -1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;prop-2-en-1-ol is sourced from PubChem (CID 173215342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).