(1E,3Z)-1-chlorocycloocta-1,3-diene

C8H11Cl — CID 19018364

IUPAC(1E,3Z)-1-chlorocycloocta-1,3-diene
SMILESCl/C1=C/C=C\CCCC1
InChIInChI=1S/C8H11Cl/c9-8-6-4-2-1-3-5-7-8/h2,4,6H,1,3,5,7H2/b4-2-,8-6+
InChIKeyAPGQZBZPGUFPRQ-XSHHVMTCSA-N
MW142.63 g/mol
LogP3.24
Rot. Bonds

About (1E,3Z)-1-chlorocycloocta-1,3-diene

(1E,3Z)-1-chlorocycloocta-1,3-diene (PubChem CID 19018364) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is (1E,3Z)-1-chlorocycloocta-1,3-diene.

Molecular Properties

Compound Name(1E,3Z)-1-chlorocycloocta-1,3-diene
PubChem CID19018364
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name(1E,3Z)-1-chlorocycloocta-1,3-diene
SMILESCl/C1=C/C=C\CCCC1
InChIInChI=1S/C8H11Cl/c9-8-6-4-2-1-3-5-7-8/h2,4,6H,1,3,5,7H2/b4-2-,8-6+
InChIKeyAPGQZBZPGUFPRQ-XSHHVMTCSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.63
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-1-chlorocycloocta-1,3-diene?
The IUPAC name of (1E,3Z)-1-chlorocycloocta-1,3-diene (CID 19018364) is (1E,3Z)-1-chlorocycloocta-1,3-diene.
What is the SMILES notation for (1E,3Z)-1-chlorocycloocta-1,3-diene?
The canonical SMILES for (1E,3Z)-1-chlorocycloocta-1,3-diene is Cl/C1=C/C=C\CCCC1.
What is the InChIKey of (1E,3Z)-1-chlorocycloocta-1,3-diene?
The InChIKey is APGQZBZPGUFPRQ-XSHHVMTCSA-N. The full InChI is InChI=1S/C8H11Cl/c9-8-6-4-2-1-3-5-7-8/h2,4,6H,1,3,5,7H2/b4-2-,8-6+.
What are the key properties of (1E,3Z)-1-chlorocycloocta-1,3-diene?
(1E,3Z)-1-chlorocycloocta-1,3-diene has a molecular weight of 142.63 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-1-chlorocycloocta-1,3-diene is sourced from PubChem (CID 19018364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).