1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene

C17H16 — CID 18328507

IUPAC1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene
SMILESCc1cccc(C2=CC=CC2)c1C1=CC=CC1
InChIInChI=1S/C17H16/c1-13-7-6-12-16(14-8-2-3-9-14)17(13)15-10-4-5-11-15/h2-8,10,12H,9,11H2,1H3
InChIKeyMTYSJGKERCZWCU-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.68
Rot. Bonds2

About 1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene

1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene (PubChem CID 18328507) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene.

Molecular Properties

Compound Name1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene
PubChem CID18328507
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene
SMILESCc1cccc(C2=CC=CC2)c1C1=CC=CC1
InChIInChI=1S/C17H16/c1-13-7-6-12-16(14-8-2-3-9-14)17(13)15-10-4-5-11-15/h2-8,10,12H,9,11H2,1H3
InChIKeyMTYSJGKERCZWCU-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene?
The IUPAC name of 1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene (CID 18328507) is 1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene.
What is the SMILES notation for 1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene?
The canonical SMILES for 1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene is Cc1cccc(C2=CC=CC2)c1C1=CC=CC1.
What is the InChIKey of 1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene?
The InChIKey is MTYSJGKERCZWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-13-7-6-12-16(14-8-2-3-9-14)17(13)15-10-4-5-11-15/h2-8,10,12H,9,11H2,1H3.
What are the key properties of 1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene?
1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene has a molecular weight of 220.31 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(cyclopenta-1,3-dien-1-yl)-3-methylbenzene is sourced from PubChem (CID 18328507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).