1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene

C16H20 — CID 21048518

IUPAC1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene
SMILESCc1ccccc1C1=CC=C(C(C)(C)C)C1
InChIInChI=1S/C16H20/c1-12-7-5-6-8-15(12)13-9-10-14(11-13)16(2,3)4/h5-10H,11H2,1-4H3
InChIKeyWBDCAJWALHETEI-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.75
Rot. Bonds1

About 1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene

1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene (PubChem CID 21048518) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene.

Molecular Properties

Compound Name1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene
PubChem CID21048518
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene
SMILESCc1ccccc1C1=CC=C(C(C)(C)C)C1
InChIInChI=1S/C16H20/c1-12-7-5-6-8-15(12)13-9-10-14(11-13)16(2,3)4/h5-10H,11H2,1-4H3
InChIKeyWBDCAJWALHETEI-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-1,3-dien-1-yl)-2-methylbenzene?
The IUPAC name of 1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene (CID 21048518) is 1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene.
What is the SMILES notation for 1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene?
The canonical SMILES for 1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene is Cc1ccccc1C1=CC=C(C(C)(C)C)C1.
What is the InChIKey of 1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene?
The InChIKey is WBDCAJWALHETEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-12-7-5-6-8-15(12)13-9-10-14(11-13)16(2,3)4/h5-10H,11H2,1-4H3.
What are the key properties of 1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-methylbenzene?
1-(4-tert-butylcyclopenta-1,3-dien-1-yl)-2-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-1,3-dien-1-yl)-2-methylbenzene is sourced from PubChem (CID 21048518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).