(1Z,5Z)-3-tert-butylcycloocta-1,5-diene

C12H20 — CID 5368978

IUPAC(1Z,5Z)-3-tert-butylcycloocta-1,5-diene
SMILESCC(C)(C)C1/C=C\CC/C=C\C1
InChIInChI=1S/C12H20/c1-12(2,3)11-9-7-5-4-6-8-10-11/h5,7-8,10-11H,4,6,9H2,1-3H3/b7-5-,10-8-
InChIKeyRUEJAGYMWJNBGK-RRMOSLQNSA-N
MW164.29 g/mol
LogP3.94
Rot. Bonds

About (1Z,5Z)-3-tert-butylcycloocta-1,5-diene

(1Z,5Z)-3-tert-butylcycloocta-1,5-diene (PubChem CID 5368978) has the molecular formula C12H20 and a molecular weight of 164.29 g/mol. Its IUPAC name is (1Z,5Z)-3-tert-butylcycloocta-1,5-diene.

Molecular Properties

Compound Name(1Z,5Z)-3-tert-butylcycloocta-1,5-diene
PubChem CID5368978
Molecular FormulaC12H20
Molecular Weight164.29 g/mol
Exact Mass164.16
IUPAC Name(1Z,5Z)-3-tert-butylcycloocta-1,5-diene
SMILESCC(C)(C)C1/C=C\CC/C=C\C1
InChIInChI=1S/C12H20/c1-12(2,3)11-9-7-5-4-6-8-10-11/h5,7-8,10-11H,4,6,9H2,1-3H3/b7-5-,10-8-
InChIKeyRUEJAGYMWJNBGK-RRMOSLQNSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.29
LogP ≤ 53.94
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 (1Z,5Z)-3-tert-butylcycloocta-1,5-diene?
The IUPAC name of (1Z,5Z)-3-tert-butylcycloocta-1,5-diene (CID 5368978) is (1Z,5Z)-3-tert-butylcycloocta-1,5-diene.
What is the SMILES notation for (1Z,5Z)-3-tert-butylcycloocta-1,5-diene?
The canonical SMILES for (1Z,5Z)-3-tert-butylcycloocta-1,5-diene is CC(C)(C)C1/C=C\CC/C=C\C1.
What is the InChIKey of (1Z,5Z)-3-tert-butylcycloocta-1,5-diene?
The InChIKey is RUEJAGYMWJNBGK-RRMOSLQNSA-N. The full InChI is InChI=1S/C12H20/c1-12(2,3)11-9-7-5-4-6-8-10-11/h5,7-8,10-11H,4,6,9H2,1-3H3/b7-5-,10-8-.
What are the key properties of (1Z,5Z)-3-tert-butylcycloocta-1,5-diene?
(1Z,5Z)-3-tert-butylcycloocta-1,5-diene has a molecular weight of 164.29 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z)-3-tert-butylcycloocta-1,5-diene is sourced from PubChem (CID 5368978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).