1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene

C16H22 — CID 21105891

IUPAC1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene
SMILESCC1=CCC(CCC2=C(C)C(C)=CC2)=C1C
InChIInChI=1S/C16H22/c1-11-5-7-15(13(11)3)9-10-16-8-6-12(2)14(16)4/h5-6H,7-10H2,1-4H3
InChIKeyYDUBPNFYCGYKJU-UHFFFAOYSA-N
MW214.35 g/mol
LogP5.10
Rot. Bonds3

About 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene

1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene (PubChem CID 21105891) has the molecular formula C16H22 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene
PubChem CID21105891
Molecular FormulaC16H22
Molecular Weight214.35 g/mol
Exact Mass214.17
IUPAC Name1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene
SMILESCC1=CCC(CCC2=C(C)C(C)=CC2)=C1C
InChIInChI=1S/C16H22/c1-11-5-7-15(13(11)3)9-10-16-8-6-12(2)14(16)4/h5-6H,7-10H2,1-4H3
InChIKeyYDUBPNFYCGYKJU-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500214.35
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene?
The IUPAC name of 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene (CID 21105891) is 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene.
What is the SMILES notation for 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene?
The canonical SMILES for 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene is CC1=CCC(CCC2=C(C)C(C)=CC2)=C1C.
What is the InChIKey of 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene?
The InChIKey is YDUBPNFYCGYKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22/c1-11-5-7-15(13(11)3)9-10-16-8-6-12(2)14(16)4/h5-6H,7-10H2,1-4H3.
What are the key properties of 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene?
1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene has a molecular weight of 214.35 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)ethyl]-2,3-dimethylcyclopenta-1,3-diene is sourced from PubChem (CID 21105891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).