(1E,4Z)-1-propan-2-ylcycloocta-1,4-diene

C11H18 — CID 20800720

IUPAC(1E,4Z)-1-propan-2-ylcycloocta-1,4-diene
SMILESCC(C)/C1=C/C/C=C\CCC1
InChIInChI=1S/C11H18/c1-10(2)11-8-6-4-3-5-7-9-11/h3-4,8,10H,5-7,9H2,1-2H3/b4-3-,11-8+
InChIKeyGYGRKVKNSKCWFT-PRTWDDKSSA-N
MW150.27 g/mol
LogP3.70
Rot. Bonds1

About (1E,4Z)-1-propan-2-ylcycloocta-1,4-diene

(1E,4Z)-1-propan-2-ylcycloocta-1,4-diene (PubChem CID 20800720) has the molecular formula C11H18 and a molecular weight of 150.27 g/mol. Its IUPAC name is (1E,4Z)-1-propan-2-ylcycloocta-1,4-diene.

Molecular Properties

Compound Name(1E,4Z)-1-propan-2-ylcycloocta-1,4-diene
PubChem CID20800720
Molecular FormulaC11H18
Molecular Weight150.27 g/mol
Exact Mass150.14
IUPAC Name(1E,4Z)-1-propan-2-ylcycloocta-1,4-diene
SMILESCC(C)/C1=C/C/C=C\CCC1
InChIInChI=1S/C11H18/c1-10(2)11-8-6-4-3-5-7-9-11/h3-4,8,10H,5-7,9H2,1-2H3/b4-3-,11-8+
InChIKeyGYGRKVKNSKCWFT-PRTWDDKSSA-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 ≤ 500150.27
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 (1E,4Z)-1-propan-2-ylcycloocta-1,4-diene?
The IUPAC name of (1E,4Z)-1-propan-2-ylcycloocta-1,4-diene (CID 20800720) is (1E,4Z)-1-propan-2-ylcycloocta-1,4-diene.
What is the SMILES notation for (1E,4Z)-1-propan-2-ylcycloocta-1,4-diene?
The canonical SMILES for (1E,4Z)-1-propan-2-ylcycloocta-1,4-diene is CC(C)/C1=C/C/C=C\CCC1.
What is the InChIKey of (1E,4Z)-1-propan-2-ylcycloocta-1,4-diene?
The InChIKey is GYGRKVKNSKCWFT-PRTWDDKSSA-N. The full InChI is InChI=1S/C11H18/c1-10(2)11-8-6-4-3-5-7-9-11/h3-4,8,10H,5-7,9H2,1-2H3/b4-3-,11-8+.
What are the key properties of (1E,4Z)-1-propan-2-ylcycloocta-1,4-diene?
(1E,4Z)-1-propan-2-ylcycloocta-1,4-diene has a molecular weight of 150.27 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 (1E,4Z)-1-propan-2-ylcycloocta-1,4-diene is sourced from PubChem (CID 20800720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).