2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene

C14H18 — CID 12997991

IUPAC2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene
SMILESCC1=CCC(C)=C1C(C)C1=CCC=C1
InChIInChI=1S/C14H18/c1-10-8-9-11(2)14(10)12(3)13-6-4-5-7-13/h4,6-8,12H,5,9H2,1-3H3
InChIKeyWBJFNRIUBSPEHD-UHFFFAOYSA-N
MW186.30 g/mol
LogP4.18
Rot. Bonds2

About 2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene

2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene (PubChem CID 12997991) has the molecular formula C14H18 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene
PubChem CID12997991
Molecular FormulaC14H18
Molecular Weight186.30 g/mol
Exact Mass186.14
IUPAC Name2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene
SMILESCC1=CCC(C)=C1C(C)C1=CCC=C1
InChIInChI=1S/C14H18/c1-10-8-9-11(2)14(10)12(3)13-6-4-5-7-13/h4,6-8,12H,5,9H2,1-3H3
InChIKeyWBJFNRIUBSPEHD-UHFFFAOYSA-N
XLogP4.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene?
The IUPAC name of 2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene (CID 12997991) is 2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for 2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene?
The canonical SMILES for 2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene is CC1=CCC(C)=C1C(C)C1=CCC=C1.
What is the InChIKey of 2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene?
The InChIKey is WBJFNRIUBSPEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18/c1-10-8-9-11(2)14(10)12(3)13-6-4-5-7-13/h4,6-8,12H,5,9H2,1-3H3.
What are the key properties of 2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene?
2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene has a molecular weight of 186.30 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopenta-1,4-dien-1-ylethyl)-1,3-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 12997991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).