diethyl(oxolan-3-ylmethoxy)alumane

C9H19AlO2 — CID 139905311

IUPACdiethyl(oxolan-3-ylmethoxy)alumane
SMILESCC[Al](CC)OCC1CCOC1
InChIInChI=1S/C5H9O2.2C2H5.Al/c6-3-5-1-2-7-4-5;2*1-2;/h5H,1-4H2;2*1H2,2H3;/q-1;;;+1
InChIKeyJQTALSAIZIGYNK-UHFFFAOYSA-N
MW186.23 g/mol
LogP2.07
Rot. Bonds5

About diethyl(oxolan-3-ylmethoxy)alumane

diethyl(oxolan-3-ylmethoxy)alumane (PubChem CID 139905311) has the molecular formula C9H19AlO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is diethyl(oxolan-3-ylmethoxy)alumane.

Molecular Properties

Compound Namediethyl(oxolan-3-ylmethoxy)alumane
PubChem CID139905311
Molecular FormulaC9H19AlO2
Molecular Weight186.23 g/mol
Exact Mass186.12
IUPAC Namediethyl(oxolan-3-ylmethoxy)alumane
SMILESCC[Al](CC)OCC1CCOC1
InChIInChI=1S/C5H9O2.2C2H5.Al/c6-3-5-1-2-7-4-5;2*1-2;/h5H,1-4H2;2*1H2,2H3;/q-1;;;+1
InChIKeyJQTALSAIZIGYNK-UHFFFAOYSA-N
XLogP2.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze diethyl(oxolan-3-ylmethoxy)alumane 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

oxolan-3-ylmethoxy(dipropyl)alumane
CID 139905281
ethane;3-(methoxymethyl)oxolane
CID 143285946
3-ethyloxolane
CID 10996972
O-(oxolan-3-ylmethyl)hydroxylamine
CID 25137671
O-(oxolan-3-ylmethyl)hydroxylamine;hydrochloride
CID 67132109
butane;3-ethyloxolane
CID 143075797
1-(oxolan-3-ylmethoxy)butan-2-ol
CID 62040870
3-methyl-3-(oxolan-3-ylmethoxy)azetidine
CID 83066402
3-[2-(bromomethyl)butoxymethyl]oxolane
CID 64995288
N',N'-diethyl-N-[2-(oxolan-3-ylmethoxy)ethyl]ethane-1,2-diamine
CID 62582572
(3S)-3-(2,2-dimethylpropyl)oxolane
CID 139100718
3-(ethylsulfanylmethyl)oxolane
CID 130928771

Frequently Asked Questions

What is the IUPAC name of diethyl(oxolan-3-ylmethoxy)alumane?
The IUPAC name of diethyl(oxolan-3-ylmethoxy)alumane (CID 139905311) is diethyl(oxolan-3-ylmethoxy)alumane.
What is the SMILES notation for diethyl(oxolan-3-ylmethoxy)alumane?
The canonical SMILES for diethyl(oxolan-3-ylmethoxy)alumane is CC[Al](CC)OCC1CCOC1.
What is the InChIKey of diethyl(oxolan-3-ylmethoxy)alumane?
The InChIKey is JQTALSAIZIGYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O2.2C2H5.Al/c6-3-5-1-2-7-4-5;2*1-2;/h5H,1-4H2;2*1H2,2H3;/q-1;;;+1.
What are the key properties of diethyl(oxolan-3-ylmethoxy)alumane?
diethyl(oxolan-3-ylmethoxy)alumane has a molecular weight of 186.23 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl(oxolan-3-ylmethoxy)alumane is sourced from PubChem (CID 139905311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).