(1Z,4Z)-6-ethyl-2-methylcycloocta-1,4-diene

C11H18 — CID 20572343

IUPAC(1Z,4Z)-6-ethyl-2-methylcycloocta-1,4-diene
SMILESCCC1/C=C\C/C(C)=C\CC1
InChIInChI=1S/C11H18/c1-3-11-8-4-6-10(2)7-5-9-11/h4,7-8,11H,3,5-6,9H2,1-2H3/b8-4-,10-7-
InChIKeyXFIZCTWYYOJWAB-LJBIEAABSA-N
MW150.26 g/mol
LogP3.70
Rot. Bonds1

About (1Z,4Z)-6-ethyl-2-methylcycloocta-1,4-diene

(1Z,4Z)-6-ethyl-2-methylcycloocta-1,4-diene (PubChem CID 20572343) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is (1Z,4Z)-6-ethyl-2-methylcycloocta-1,4-diene.

Molecular Properties

Compound Name(1Z,4Z)-6-ethyl-2-methylcycloocta-1,4-diene
PubChem CID20572343
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name(1Z,4Z)-6-ethyl-2-methylcycloocta-1,4-diene
SMILESCCC1/C=C\C/C(C)=C\CC1
InChIInChI=1S/C11H18/c1-3-11-8-4-6-10(2)7-5-9-11/h4,7-8,11H,3,5-6,9H2,1-2H3/b8-4-,10-7-
InChIKeyXFIZCTWYYOJWAB-LJBIEAABSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.70
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,4Z)-6-ethyl-2-methylcycloocta-1,4-diene?
The IUPAC name of (1Z,4Z)-6-ethyl-2-methylcycloocta-1,4-diene (CID 20572343) is (1Z,4Z)-6-ethyl-2-methylcycloocta-1,4-diene.
What is the SMILES notation for (1Z,4Z)-6-ethyl-2-methylcycloocta-1,4-diene?
The canonical SMILES for (1Z,4Z)-6-ethyl-2-methylcycloocta-1,4-diene is CCC1/C=C\C/C(C)=C\CC1.
What is the InChIKey of (1Z,4Z)-6-ethyl-2-methylcycloocta-1,4-diene?
The InChIKey is XFIZCTWYYOJWAB-LJBIEAABSA-N. The full InChI is InChI=1S/C11H18/c1-3-11-8-4-6-10(2)7-5-9-11/h4,7-8,11H,3,5-6,9H2,1-2H3/b8-4-,10-7-.
What are the key properties of (1Z,4Z)-6-ethyl-2-methylcycloocta-1,4-diene?
(1Z,4Z)-6-ethyl-2-methylcycloocta-1,4-diene has a molecular weight of 150.26 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4Z)-6-ethyl-2-methylcycloocta-1,4-diene is sourced from PubChem (CID 20572343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).