(4-tert-butylcyclohexa-1,4-dien-1-yl)benzene

C16H20 — CID 10798618

IUPAC(4-tert-butylcyclohexa-1,4-dien-1-yl)benzene
SMILESCC(C)(C)C1=CCC(c2ccccc2)=CC1
InChIInChI=1S/C16H20/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-9,12H,10-11H2,1-3H3
InChIKeyOTJXWRLEMNASRF-UHFFFAOYSA-N
MW212.34 g/mol
LogP4.84
Rot. Bonds1

About (4-tert-butylcyclohexa-1,4-dien-1-yl)benzene

(4-tert-butylcyclohexa-1,4-dien-1-yl)benzene (PubChem CID 10798618) has the molecular formula C16H20 and a molecular weight of 212.34 g/mol. Its IUPAC name is (4-tert-butylcyclohexa-1,4-dien-1-yl)benzene.

Molecular Properties

Compound Name(4-tert-butylcyclohexa-1,4-dien-1-yl)benzene
PubChem CID10798618
Molecular FormulaC16H20
Molecular Weight212.34 g/mol
Exact Mass212.16
IUPAC Name(4-tert-butylcyclohexa-1,4-dien-1-yl)benzene
SMILESCC(C)(C)C1=CCC(c2ccccc2)=CC1
InChIInChI=1S/C16H20/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-9,12H,10-11H2,1-3H3
InChIKeyOTJXWRLEMNASRF-UHFFFAOYSA-N
XLogP4.84
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 ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexa-1,4-dien-1-yl)benzene?
The IUPAC name of (4-tert-butylcyclohexa-1,4-dien-1-yl)benzene (CID 10798618) is (4-tert-butylcyclohexa-1,4-dien-1-yl)benzene.
What is the SMILES notation for (4-tert-butylcyclohexa-1,4-dien-1-yl)benzene?
The canonical SMILES for (4-tert-butylcyclohexa-1,4-dien-1-yl)benzene is CC(C)(C)C1=CCC(c2ccccc2)=CC1.
What is the InChIKey of (4-tert-butylcyclohexa-1,4-dien-1-yl)benzene?
The InChIKey is OTJXWRLEMNASRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-9,12H,10-11H2,1-3H3.
What are the key properties of (4-tert-butylcyclohexa-1,4-dien-1-yl)benzene?
(4-tert-butylcyclohexa-1,4-dien-1-yl)benzene has a molecular weight of 212.34 g/mol, XLogP of 4.84, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexa-1,4-dien-1-yl)benzene is sourced from PubChem (CID 10798618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).