alumane;(E)-3-phenylprop-2-enal

C9H11AlO — CID 173462374

IUPACalumane;(E)-3-phenylprop-2-enal
SMILESO=C/C=C/c1ccccc1.[AlH3]
InChIInChI=1S/C9H8O.Al.3H/c10-8-4-7-9-5-2-1-3-6-9;;;;/h1-8H;;;;/b7-4+;;;;
InChIKeyAPLWJGZQMOKTRU-UKTVGUFOSA-N
MW162.17 g/mol
LogP0.71
Rot. Bonds2

About alumane;(E)-3-phenylprop-2-enal

alumane;(E)-3-phenylprop-2-enal (PubChem CID 173462374) has the molecular formula C9H11AlO and a molecular weight of 162.17 g/mol. Its IUPAC name is alumane;(E)-3-phenylprop-2-enal.

Molecular Properties

Compound Namealumane;(E)-3-phenylprop-2-enal
PubChem CID173462374
Molecular FormulaC9H11AlO
Molecular Weight162.17 g/mol
Exact Mass162.06
IUPAC Namealumane;(E)-3-phenylprop-2-enal
SMILESO=C/C=C/c1ccccc1.[AlH3]
InChIInChI=1S/C9H8O.Al.3H/c10-8-4-7-9-5-2-1-3-6-9;;;;/h1-8H;;;;/b7-4+;;;;
InChIKeyAPLWJGZQMOKTRU-UKTVGUFOSA-N
XLogP0.71
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.17
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-phenylprop-2-enal;[(E)-prop-1-enyl]benzene
CID 22568680
phenol;(E)-3-phenylprop-2-enal
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ethane-1,2-diol;(Z)-3-phenylprop-2-enal
CID 155351611
3-phenylprop-2-enal;thiophene
CID 157433111
3-phenylprop-2-enal;propan-2-ol
CID 158457423
CID 173401175
CID 173401175
pentanedial;3-phenylprop-2-enal
CID 174110085
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602
4-phenylbuta-1,3-dienylbenzene
CID 162273071
1,1-dichloroethane;1,2-dichloroethane;(E)-3-phenylprop-2-enal
CID 174831174
2,2-dimethoxyacetaldehyde;(E)-3-phenylprop-2-enal
CID 146635918
(E)-3-(4-anilinophenyl)prop-2-enal
CID 22717037

Frequently Asked Questions

What is the IUPAC name of alumane;(E)-3-phenylprop-2-enal?
The IUPAC name of alumane;(E)-3-phenylprop-2-enal (CID 173462374) is alumane;(E)-3-phenylprop-2-enal.
What is the SMILES notation for alumane;(E)-3-phenylprop-2-enal?
The canonical SMILES for alumane;(E)-3-phenylprop-2-enal is O=C/C=C/c1ccccc1.[AlH3].
What is the InChIKey of alumane;(E)-3-phenylprop-2-enal?
The InChIKey is APLWJGZQMOKTRU-UKTVGUFOSA-N. The full InChI is InChI=1S/C9H8O.Al.3H/c10-8-4-7-9-5-2-1-3-6-9;;;;/h1-8H;;;;/b7-4+;;;;.
What are the key properties of alumane;(E)-3-phenylprop-2-enal?
alumane;(E)-3-phenylprop-2-enal has a molecular weight of 162.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;(E)-3-phenylprop-2-enal is sourced from PubChem (CID 173462374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).