1,4-diethylbenzene;ethane;methane

C15H30 — CID 166131756

IUPAC1,4-diethylbenzene;ethane;methane
SMILESC.CC.CC.CCc1ccc(CC)cc1
InChIInChI=1S/C10H14.2C2H6.CH4/c1-3-9-5-7-10(4-2)8-6-9;2*1-2;/h5-8H,3-4H2,1-2H3;2*1-2H3;1H4
InChIKeyZCBTXAOLVNHALN-UHFFFAOYSA-N
MW210.40 g/mol
LogP5.50
Rot. Bonds2

About 1,4-diethylbenzene;ethane;methane

1,4-diethylbenzene;ethane;methane (PubChem CID 166131756) has the molecular formula C15H30 and a molecular weight of 210.40 g/mol. Its IUPAC name is 1,4-diethylbenzene;ethane;methane.

Molecular Properties

Compound Name1,4-diethylbenzene;ethane;methane
PubChem CID166131756
Molecular FormulaC15H30
Molecular Weight210.40 g/mol
Exact Mass210.23
IUPAC Name1,4-diethylbenzene;ethane;methane
SMILESC.CC.CC.CCc1ccc(CC)cc1
InChIInChI=1S/C10H14.2C2H6.CH4/c1-3-9-5-7-10(4-2)8-6-9;2*1-2;/h5-8H,3-4H2,1-2H3;2*1-2H3;1H4
InChIKeyZCBTXAOLVNHALN-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.40
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-diethylbenzene;ethane;methane 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
CID 91207141
alumane;1,4-diethylbenzene
CID 174296012
carbanide;ethane;bis(1-ethyl-4-[(4-ethylphenyl)methyl]benzene);methane;bis(rhodium)
CID 160998250
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;1-ethyl-4-phenylbenzene;methane
CID 142852812
ethane;4-ethyl-N-methylaniline;methane
CID 142034195
ethane;ethylbenzene
CID 90887003
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
1,4-bis[(4-ethylphenyl)methyl]benzene;ethane;1-ethyl-4-[[4-[4-[(4-ethylphenyl)methyl]phenyl]phenyl]methyl]benzene
CID 163605506
1-cyclopropyl-4-ethylbenzene;ethane;methane
CID 176955448
ethane;1-ethyl-4-propan-2-ylbenzene
CID 145053715

Frequently Asked Questions

What is the IUPAC name of 1,4-diethylbenzene;ethane;methane?
The IUPAC name of 1,4-diethylbenzene;ethane;methane (CID 166131756) is 1,4-diethylbenzene;ethane;methane.
What is the SMILES notation for 1,4-diethylbenzene;ethane;methane?
The canonical SMILES for 1,4-diethylbenzene;ethane;methane is C.CC.CC.CCc1ccc(CC)cc1.
What is the InChIKey of 1,4-diethylbenzene;ethane;methane?
The InChIKey is ZCBTXAOLVNHALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14.2C2H6.CH4/c1-3-9-5-7-10(4-2)8-6-9;2*1-2;/h5-8H,3-4H2,1-2H3;2*1-2H3;1H4.
What are the key properties of 1,4-diethylbenzene;ethane;methane?
1,4-diethylbenzene;ethane;methane has a molecular weight of 210.40 g/mol, XLogP of 5.50, 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;methane is sourced from PubChem (CID 166131756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).