7-tert-butylbicyclo[2.2.1]hepta-2,5-diene

C11H16 — CID 15153947

IUPAC7-tert-butylbicyclo[2.2.1]hepta-2,5-diene
SMILESCC(C)(C)C1C2C=CC1C=C2
InChIInChI=1S/C11H16/c1-11(2,3)10-8-4-5-9(10)7-6-8/h4-10H,1-3H3
InChIKeyQBGBGDYFWGQFLP-UHFFFAOYSA-N
MW148.25 g/mol
LogP3.02
Rot. Bonds

About 7-tert-butylbicyclo[2.2.1]hepta-2,5-diene

7-tert-butylbicyclo[2.2.1]hepta-2,5-diene (PubChem CID 15153947) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is 7-tert-butylbicyclo[2.2.1]hepta-2,5-diene.

Molecular Properties

Compound Name7-tert-butylbicyclo[2.2.1]hepta-2,5-diene
PubChem CID15153947
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name7-tert-butylbicyclo[2.2.1]hepta-2,5-diene
SMILESCC(C)(C)C1C2C=CC1C=C2
InChIInChI=1S/C11H16/c1-11(2,3)10-8-4-5-9(10)7-6-8/h4-10H,1-3H3
InChIKeyQBGBGDYFWGQFLP-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3,4-tetratert-butylcyclobutane
CID 164732302
5,6-ditert-butylbicyclo[2.2.1]hept-2-ene
CID 20593329
9-tert-butyl-4b,8a,9,9a-tetrahydro-4aH-fluorene
CID 18783490
3,6-ditert-butylcyclohexa-1,4-diene
CID 13283199
1,2-ditert-butyl-3-hydroperoxycyclohexane
CID 19066613
3,4-ditert-butyloxolane-2,5-diol
CID 149499592
5-tert-butylbicyclo[2.1.1]hexane
CID 140587712
9-tert-butylbicyclo[3.3.1]nonane
CID 59813982
2,7-ditert-butyl-3,4-diazabicyclo[4.1.0]hepta-2,4-diene
CID 171606227
2-tert-butyl-1,3,5-trimethylcyclohexane
CID 59523055
2-tert-butyl-2,3-dihydro-1H-1,3-diazepine
CID 20635953
2,5-ditert-butyl-2H-phosphole
CID 18913936

Frequently Asked Questions

What is the IUPAC name of 7-tert-butylbicyclo[2.2.1]hepta-2,5-diene?
The IUPAC name of 7-tert-butylbicyclo[2.2.1]hepta-2,5-diene (CID 15153947) is 7-tert-butylbicyclo[2.2.1]hepta-2,5-diene.
What is the SMILES notation for 7-tert-butylbicyclo[2.2.1]hepta-2,5-diene?
The canonical SMILES for 7-tert-butylbicyclo[2.2.1]hepta-2,5-diene is CC(C)(C)C1C2C=CC1C=C2.
What is the InChIKey of 7-tert-butylbicyclo[2.2.1]hepta-2,5-diene?
The InChIKey is QBGBGDYFWGQFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16/c1-11(2,3)10-8-4-5-9(10)7-6-8/h4-10H,1-3H3.
What are the key properties of 7-tert-butylbicyclo[2.2.1]hepta-2,5-diene?
7-tert-butylbicyclo[2.2.1]hepta-2,5-diene has a molecular weight of 148.25 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butylbicyclo[2.2.1]hepta-2,5-diene is sourced from PubChem (CID 15153947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).