1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene

C13H16 — CID 19977693

IUPAC1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(C)=C(C2=CCC=C2)C1
InChIInChI=1S/C13H16/c1-9-8-13(11(3)10(9)2)12-6-4-5-7-12/h4,6-7H,5,8H2,1-3H3
InChIKeyIJNRKJOWLCDGRT-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.93
Rot. Bonds1

About 1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene

1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene (PubChem CID 19977693) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene
PubChem CID19977693
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene
SMILESCC1=C(C)C(C)=C(C2=CCC=C2)C1
InChIInChI=1S/C13H16/c1-9-8-13(11(3)10(9)2)12-6-4-5-7-12/h4,6-7H,5,8H2,1-3H3
InChIKeyIJNRKJOWLCDGRT-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene (CID 19977693) is 1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene is CC1=C(C)C(C)=C(C2=CCC=C2)C1.
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene?
The InChIKey is IJNRKJOWLCDGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-9-8-13(11(3)10(9)2)12-6-4-5-7-12/h4,6-7H,5,8H2,1-3H3.
What are the key properties of 1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene?
1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene has a molecular weight of 172.27 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-yl-2,3,4-trimethylcyclopenta-1,3-diene is sourced from PubChem (CID 19977693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).