1,4-diethylbenzene;oxoalumane

C10H15AlO — CID 174317758

IUPAC1,4-diethylbenzene;oxoalumane
SMILESCCc1ccc(CC)cc1.O=[AlH]
InChIInChI=1S/C10H14.Al.O.H/c1-3-9-5-7-10(4-2)8-6-9;;;/h5-8H,3-4H2,1-2H3;;;
InChIKeyATHBBKBXLAAQJI-UHFFFAOYSA-N
MW178.21 g/mol
LogP2.04
Rot. Bonds2

About 1,4-diethylbenzene;oxoalumane

1,4-diethylbenzene;oxoalumane (PubChem CID 174317758) has the molecular formula C10H15AlO and a molecular weight of 178.21 g/mol. Its IUPAC name is 1,4-diethylbenzene;oxoalumane.

Molecular Properties

Compound Name1,4-diethylbenzene;oxoalumane
PubChem CID174317758
Molecular FormulaC10H15AlO
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name1,4-diethylbenzene;oxoalumane
SMILESCCc1ccc(CC)cc1.O=[AlH]
InChIInChI=1S/C10H14.Al.O.H/c1-3-9-5-7-10(4-2)8-6-9;;;/h5-8H,3-4H2,1-2H3;;;
InChIKeyATHBBKBXLAAQJI-UHFFFAOYSA-N
XLogP2.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,4-diethylbenzene;ethane
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;ethane;methane
CID 166131756
1-ethyl-4-[2-[4-[2-[4-[2-[4-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]phenyl]ethyl]benzene
CID 102370536
CID 91872170
CID 91872170
1-(4-ethylphenyl)-3-hydroxypropan-2-one
CID 82280636
1-N,1-N,4-N,4-N-tetrakis(4-ethylphenyl)benzene-1,4-diamine
CID 58862530
1-bromo-4-ethylbenzene
CID 15313
1-ethyl-4-methylbenzene;propane
CID 144580802
CID 57436075
CID 57436075
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1,4-diethylbenzene;heptane
CID 175370860

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylbenzene;oxoalumane?
The IUPAC name of 1,4-diethylbenzene;oxoalumane (CID 174317758) is 1,4-diethylbenzene;oxoalumane.
What is the SMILES notation for 1,4-diethylbenzene;oxoalumane?
The canonical SMILES for 1,4-diethylbenzene;oxoalumane is CCc1ccc(CC)cc1.O=[AlH].
What is the InChIKey of 1,4-diethylbenzene;oxoalumane?
The InChIKey is ATHBBKBXLAAQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.Al.O.H/c1-3-9-5-7-10(4-2)8-6-9;;;/h5-8H,3-4H2,1-2H3;;;.
What are the key properties of 1,4-diethylbenzene;oxoalumane?
1,4-diethylbenzene;oxoalumane has a molecular weight of 178.21 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylbenzene;oxoalumane is sourced from PubChem (CID 174317758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).