5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene

C14H16 — CID 101387339

IUPAC5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene
SMILESCC1=CC(=C2C=C(C)C(C)=C2)C=C1C
InChIInChI=1S/C14H16/c1-9-5-13(6-10(9)2)14-7-11(3)12(4)8-14/h5-8H,1-4H3
InChIKeyIEFZYFLCHAUFRG-UHFFFAOYSA-N
MW184.28 g/mol
LogP4.10
Rot. Bonds

About 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene

5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene (PubChem CID 101387339) has the molecular formula C14H16 and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene
PubChem CID101387339
Molecular FormulaC14H16
Molecular Weight184.28 g/mol
Exact Mass184.13
IUPAC Name5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene
SMILESCC1=CC(=C2C=C(C)C(C)=C2)C=C1C
InChIInChI=1S/C14H16/c1-9-5-13(6-10(9)2)14-7-11(3)12(4)8-14/h5-8H,1-4H3
InChIKeyIEFZYFLCHAUFRG-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene?
The IUPAC name of 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene (CID 101387339) is 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene?
The canonical SMILES for 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene is CC1=CC(=C2C=C(C)C(C)=C2)C=C1C.
What is the InChIKey of 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene?
The InChIKey is IEFZYFLCHAUFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16/c1-9-5-13(6-10(9)2)14-7-11(3)12(4)8-14/h5-8H,1-4H3.
What are the key properties of 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene?
5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene has a molecular weight of 184.28 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylcyclopenta-2,4-dien-1-ylidene)-2,3-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 101387339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).