cyclopenta-1,3-diene;ethane;ethylbenzene

C19H34 — CID 90860127

IUPACcyclopenta-1,3-diene;ethane;ethylbenzene
SMILESC1=CCC=C1.CC.CC.CC.CCc1ccccc1
InChIInChI=1S/C8H10.C5H6.3C2H6/c1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;3*1-2/h3-7H,2H2,1H3;1-4H,5H2;3*1-2H3
InChIKeyQARAXNRQNSQQKM-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.83
Rot. Bonds1

About cyclopenta-1,3-diene;ethane;ethylbenzene

cyclopenta-1,3-diene;ethane;ethylbenzene (PubChem CID 90860127) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;ethylbenzene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethane;ethylbenzene
PubChem CID90860127
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Namecyclopenta-1,3-diene;ethane;ethylbenzene
SMILESC1=CCC=C1.CC.CC.CC.CCc1ccccc1
InChIInChI=1S/C8H10.C5H6.3C2H6/c1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;3*1-2/h3-7H,2H2,1H3;1-4H,5H2;3*1-2H3
InChIKeyQARAXNRQNSQQKM-UHFFFAOYSA-N
XLogP6.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze cyclopenta-1,3-diene;ethane;ethylbenzene 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

cyclopenta-1,3-diene;ethane;ethylbenzene;propane;pyridine
CID 157418692
ethane;ethylbenzene
CID 90887003
ethane;ethylbenzene;propane
CID 91199618
ethylcyclodecapentaene
CID 90861705
ethane;ethylbenzene;methanol
CID 90833594
ethylbenzene;molybdenum
CID 161189179
sulfanium ethylbenzene
CID 22726309
benzylbenzene;bis(cyclopenta-1,3-diene);bis(cyclopentane);2,3-dihydro-1H-indene;ethane;ethylbenzene;methane;naphthalene;propane
CID 162206246
ethane;ethylbenzene;methoxymethane
CID 91307642
ethylbenzene;propane;hydroiodide
CID 142182216
tris(cyclopenta-1,3-diene);bis(1-ethenyl-4-ethylbenzene);ethylbenzene;bis((Z)-pent-2-ene)
CID 162272940
ethane;ethylbenzene;toluene
CID 159408087

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethane;ethylbenzene?
The IUPAC name of cyclopenta-1,3-diene;ethane;ethylbenzene (CID 90860127) is cyclopenta-1,3-diene;ethane;ethylbenzene.
What is the SMILES notation for cyclopenta-1,3-diene;ethane;ethylbenzene?
The canonical SMILES for cyclopenta-1,3-diene;ethane;ethylbenzene is C1=CCC=C1.CC.CC.CC.CCc1ccccc1.
What is the InChIKey of cyclopenta-1,3-diene;ethane;ethylbenzene?
The InChIKey is QARAXNRQNSQQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C5H6.3C2H6/c1-2-8-6-4-3-5-7-8;1-2-4-5-3-1;3*1-2/h3-7H,2H2,1H3;1-4H,5H2;3*1-2H3.
What are the key properties of cyclopenta-1,3-diene;ethane;ethylbenzene?
cyclopenta-1,3-diene;ethane;ethylbenzene has a molecular weight of 262.48 g/mol, XLogP of 6.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;ethane;ethylbenzene is sourced from PubChem (CID 90860127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).