1,4-diethylbenzene;ethane

C12H20 — CID 91207141

IUPAC1,4-diethylbenzene;ethane
SMILESCC.CCc1ccc(CC)cc1
InChIInChI=1S/C10H14.C2H6/c1-3-9-5-7-10(4-2)8-6-9;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyLRQRQCDPXAASRJ-UHFFFAOYSA-N
MW164.29 g/mol
LogP3.84
Rot. Bonds2

About 1,4-diethylbenzene;ethane

1,4-diethylbenzene;ethane (PubChem CID 91207141) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is 1,4-diethylbenzene;ethane.

Molecular Properties

Compound Name1,4-diethylbenzene;ethane
PubChem CID91207141
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name1,4-diethylbenzene;ethane
SMILESCC.CCc1ccc(CC)cc1
InChIInChI=1S/C10H14.C2H6/c1-3-9-5-7-10(4-2)8-6-9;1-2/h5-8H,3-4H2,1-2H3;1-2H3
InChIKeyLRQRQCDPXAASRJ-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-diethylbenzene;ethane 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

1,4-diethylbenzene;ethane;methane
CID 166131756
alumane;1,4-diethylbenzene
CID 174296012
1,4-diethylbenzene;oxoalumane
CID 174317758
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
ethane;ethylbenzene
CID 90887003
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
carbanide;ethane;bis(1-ethyl-4-[(4-ethylphenyl)methyl]benzene);methane;bis(rhodium)
CID 160998250
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
ethane;1-(4-ethylphenyl)-N,N-dimethylmethanamine
CID 143652476
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715
CID 57436075
CID 57436075
ethane;ethylbenzene;propane
CID 91199618

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylbenzene;ethane?
The IUPAC name of 1,4-diethylbenzene;ethane (CID 91207141) is 1,4-diethylbenzene;ethane.
What is the SMILES notation for 1,4-diethylbenzene;ethane?
The canonical SMILES for 1,4-diethylbenzene;ethane is CC.CCc1ccc(CC)cc1.
What is the InChIKey of 1,4-diethylbenzene;ethane?
The InChIKey is LRQRQCDPXAASRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.C2H6/c1-3-9-5-7-10(4-2)8-6-9;1-2/h5-8H,3-4H2,1-2H3;1-2H3.
What are the key properties of 1,4-diethylbenzene;ethane?
1,4-diethylbenzene;ethane has a molecular weight of 164.29 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethylbenzene;ethane is sourced from PubChem (CID 91207141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).