(1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene

C11H16 — CID 143333898

IUPAC(1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene
SMILESC/C1=C/C=CC(C)/C=C(/C)C1
InChIInChI=1S/C11H16/c1-9-5-4-6-10(2)8-11(3)7-9/h4-7,9H,8H2,1-3H3/b5-4?,10-6-,11-7-
InChIKeyGFNYCWLZIUSUFN-LUSRJCCPSA-N
MW148.25 g/mol
LogP3.47
Rot. Bonds

About (1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene

(1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene (PubChem CID 143333898) has the molecular formula C11H16 and a molecular weight of 148.25 g/mol. Its IUPAC name is (1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene.

Molecular Properties

Compound Name(1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene
PubChem CID143333898
Molecular FormulaC11H16
Molecular Weight148.25 g/mol
Exact Mass148.13
IUPAC Name(1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene
SMILESC/C1=C/C=CC(C)/C=C(/C)C1
InChIInChI=1S/C11H16/c1-9-5-4-6-10(2)8-11(3)7-9/h4-7,9H,8H2,1-3H3/b5-4?,10-6-,11-7-
InChIKeyGFNYCWLZIUSUFN-LUSRJCCPSA-N
XLogP3.47
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 ≤ 53.47
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,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene?
The IUPAC name of (1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene (CID 143333898) is (1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene.
What is the SMILES notation for (1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene?
The canonical SMILES for (1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene is C/C1=C/C=CC(C)/C=C(/C)C1.
What is the InChIKey of (1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene?
The InChIKey is GFNYCWLZIUSUFN-LUSRJCCPSA-N. The full InChI is InChI=1S/C11H16/c1-9-5-4-6-10(2)8-11(3)7-9/h4-7,9H,8H2,1-3H3/b5-4?,10-6-,11-7-.
What are the key properties of (1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene?
(1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene has a molecular weight of 148.25 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,6Z)-1,5,7-trimethylcycloocta-1,3,6-triene is sourced from PubChem (CID 143333898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).