1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene

C16H20 — CID 139812661

IUPAC1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene
SMILESCc1ccc(C2=CCC(C(C)(C)C)=C2)cc1
InChIInChI=1S/C16H20/c1-12-5-7-13(8-6-12)14-9-10-15(11-14)16(2,3)4/h5-9,11H,10H2,1-4H3
InChIKeyMRLKHPGQLVKDQD-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.75
Rot. Bonds1

About 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene

1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene (PubChem CID 139812661) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene.

Molecular Properties

Compound Name1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene
PubChem CID139812661
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene
SMILESCc1ccc(C2=CCC(C(C)(C)C)=C2)cc1
InChIInChI=1S/C16H20/c1-12-5-7-13(8-6-12)14-9-10-15(11-14)16(2,3)4/h5-9,11H,10H2,1-4H3
InChIKeyMRLKHPGQLVKDQD-UHFFFAOYSA-N
XLogP4.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene?
The IUPAC name of 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene (CID 139812661) is 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene.
What is the SMILES notation for 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene?
The canonical SMILES for 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene is Cc1ccc(C2=CCC(C(C)(C)C)=C2)cc1.
What is the InChIKey of 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene?
The InChIKey is MRLKHPGQLVKDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-12-5-7-13(8-6-12)14-9-10-15(11-14)16(2,3)4/h5-9,11H,10H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene?
1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene has a molecular weight of 212.34 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclopenta-1,4-dien-1-yl)-4-methylbenzene is sourced from PubChem (CID 139812661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).