1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene

C13H16 — CID 11030304

IUPAC1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene
SMILESCC(C)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C13H16/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12/h3-7,9H,8,10H2,1-2H3
InChIKeyNSWUXAUIAZVROT-UHFFFAOYSA-N
MW172.27 g/mol
LogP3.79
Rot. Bonds2

About 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene

1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene (PubChem CID 11030304) has the molecular formula C13H16 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene
PubChem CID11030304
Molecular FormulaC13H16
Molecular Weight172.27 g/mol
Exact Mass172.13
IUPAC Name1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene
SMILESCC(C)(C1=CC=CC1)C1=CC=CC1
InChIInChI=1S/C13H16/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12/h3-7,9H,8,10H2,1-2H3
InChIKeyNSWUXAUIAZVROT-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene?
The IUPAC name of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene (CID 11030304) is 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene.
What is the SMILES notation for 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene?
The canonical SMILES for 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene is CC(C)(C1=CC=CC1)C1=CC=CC1.
What is the InChIKey of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene?
The InChIKey is NSWUXAUIAZVROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16/c1-13(2,11-7-3-4-8-11)12-9-5-6-10-12/h3-7,9H,8,10H2,1-2H3.
What are the key properties of 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene?
1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene has a molecular weight of 172.27 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopenta-1,3-dien-1-ylpropan-2-yl)cyclopenta-1,3-diene is sourced from PubChem (CID 11030304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).