alumane;ethyl propanoate

C5H13AlO2 — CID 174257559

IUPACalumane;ethyl propanoate
SMILESCCOC(=O)CC.[AlH3]
InChIInChI=1S/C5H10O2.Al.3H/c1-3-5(6)7-4-2;;;;/h3-4H2,1-2H3;;;;
InChIKeyRIRCNYDKCSCIBO-UHFFFAOYSA-N
MW132.14 g/mol
LogP-0.22
Rot. Bonds2

About alumane;ethyl propanoate

alumane;ethyl propanoate (PubChem CID 174257559) has the molecular formula C5H13AlO2 and a molecular weight of 132.14 g/mol. Its IUPAC name is alumane;ethyl propanoate.

Molecular Properties

Compound Namealumane;ethyl propanoate
PubChem CID174257559
Molecular FormulaC5H13AlO2
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Namealumane;ethyl propanoate
SMILESCCOC(=O)CC.[AlH3]
InChIInChI=1S/C5H10O2.Al.3H/c1-3-5(6)7-4-2;;;;/h3-4H2,1-2H3;;;;
InChIKeyRIRCNYDKCSCIBO-UHFFFAOYSA-N
XLogP-0.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-0.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of alumane;ethyl propanoate?
The IUPAC name of alumane;ethyl propanoate (CID 174257559) is alumane;ethyl propanoate.
What is the SMILES notation for alumane;ethyl propanoate?
The canonical SMILES for alumane;ethyl propanoate is CCOC(=O)CC.[AlH3].
What is the InChIKey of alumane;ethyl propanoate?
The InChIKey is RIRCNYDKCSCIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.Al.3H/c1-3-5(6)7-4-2;;;;/h3-4H2,1-2H3;;;;.
What are the key properties of alumane;ethyl propanoate?
alumane;ethyl propanoate has a molecular weight of 132.14 g/mol, XLogP of -0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;ethyl propanoate is sourced from PubChem (CID 174257559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).