cyclopenta-1,3-diene;ethane;toluene

C14H20 — CID 90880714

IUPACcyclopenta-1,3-diene;ethane;toluene
SMILESC1=CCC=C1.CC.Cc1ccccc1
InChIInChI=1S/C7H8.C5H6.C2H6/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;1-2/h2-6H,1H3;1-4H,5H2;1-2H3
InChIKeyILKLCQJRTVKDKM-UHFFFAOYSA-N
MW188.31 g/mol
LogP4.52
Rot. Bonds

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

cyclopenta-1,3-diene;ethane;toluene (PubChem CID 90880714) has the molecular formula C14H20 and a molecular weight of 188.31 g/mol. Its IUPAC name is cyclopenta-1,3-diene;ethane;toluene.

Molecular Properties

Compound Namecyclopenta-1,3-diene;ethane;toluene
PubChem CID90880714
Molecular FormulaC14H20
Molecular Weight188.31 g/mol
Exact Mass188.16
IUPAC Namecyclopenta-1,3-diene;ethane;toluene
SMILESC1=CCC=C1.CC.Cc1ccccc1
InChIInChI=1S/C7H8.C5H6.C2H6/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;1-2/h2-6H,1H3;1-4H,5H2;1-2H3
InChIKeyILKLCQJRTVKDKM-UHFFFAOYSA-N
XLogP4.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;ethane;toluene?
The IUPAC name of cyclopenta-1,3-diene;ethane;toluene (CID 90880714) is cyclopenta-1,3-diene;ethane;toluene.
What is the SMILES notation for cyclopenta-1,3-diene;ethane;toluene?
The canonical SMILES for cyclopenta-1,3-diene;ethane;toluene is C1=CCC=C1.CC.Cc1ccccc1.
What is the InChIKey of cyclopenta-1,3-diene;ethane;toluene?
The InChIKey is ILKLCQJRTVKDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C5H6.C2H6/c1-7-5-3-2-4-6-7;1-2-4-5-3-1;1-2/h2-6H,1H3;1-4H,5H2;1-2H3.
What are the key properties of cyclopenta-1,3-diene;ethane;toluene?
cyclopenta-1,3-diene;ethane;toluene has a molecular weight of 188.31 g/mol, XLogP of 4.52, 0 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;toluene is sourced from PubChem (CID 90880714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).