propanoyloxyalumanyl propanoate

C6H11AlO4 — CID 173408465

IUPACpropanoyloxyalumanyl propanoate
SMILESCCC(=O)O[AlH]OC(=O)CC
InChIInChI=1S/2C3H6O2.Al.H/c2*1-2-3(4)5;;/h2*2H2,1H3,(H,4,5);;/q;;+2;/p-2
InChIKeyDKJOVGCVXZCAHX-UHFFFAOYSA-L
MW174.13 g/mol
LogP0.16
Rot. Bonds4

About propanoyloxyalumanyl propanoate

propanoyloxyalumanyl propanoate (PubChem CID 173408465) has the molecular formula C6H11AlO4 and a molecular weight of 174.13 g/mol. Its IUPAC name is propanoyloxyalumanyl propanoate.

Molecular Properties

Compound Namepropanoyloxyalumanyl propanoate
PubChem CID173408465
Molecular FormulaC6H11AlO4
Molecular Weight174.13 g/mol
Exact Mass174.05
IUPAC Namepropanoyloxyalumanyl propanoate
SMILESCCC(=O)O[AlH]OC(=O)CC
InChIInChI=1S/2C3H6O2.Al.H/c2*1-2-3(4)5;;/h2*2H2,1H3,(H,4,5);;/q;;+2;/p-2
InChIKeyDKJOVGCVXZCAHX-UHFFFAOYSA-L
XLogP0.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.13
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propanoyl (113C)propanoate
CID 91179573
propanoyl 2,2,3,3,3-pentafluoropropanoate
CID 22105194
dipropanoyl butanedioate
CID 146216618
CID 87773794
CID 87773794
propanoyloxy-λ2-stannane
CID 173456890
methyl propanoate;dihydrochloride
CID 140968159
CID 59894625
CID 59894625
methyl propanoate;sulfuryl difluoride
CID 146421317
propan-2-one;propan-2-yl propanoate
CID 161266557
(2-fluoro-2-oxoethyl) propanoate
CID 172682810
trimethoxysilyl propanoate
CID 87655017
lithium;hydride;methyl propanoate
CID 174158387

Frequently Asked Questions

What is the IUPAC name of propanoyloxyalumanyl propanoate?
The IUPAC name of propanoyloxyalumanyl propanoate (CID 173408465) is propanoyloxyalumanyl propanoate.
What is the SMILES notation for propanoyloxyalumanyl propanoate?
The canonical SMILES for propanoyloxyalumanyl propanoate is CCC(=O)O[AlH]OC(=O)CC.
What is the InChIKey of propanoyloxyalumanyl propanoate?
The InChIKey is DKJOVGCVXZCAHX-UHFFFAOYSA-L. The full InChI is InChI=1S/2C3H6O2.Al.H/c2*1-2-3(4)5;;/h2*2H2,1H3,(H,4,5);;/q;;+2;/p-2.
What are the key properties of propanoyloxyalumanyl propanoate?
propanoyloxyalumanyl propanoate has a molecular weight of 174.13 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propanoyloxyalumanyl propanoate is sourced from PubChem (CID 173408465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).