(4Z)-8-chlorocyclooct-4-en-1-one

C8H11ClO — CID 11019145

IUPAC(4Z)-8-chlorocyclooct-4-en-1-one
SMILESO=C1CC/C=C\CCC1Cl
InChIInChI=1S/C8H11ClO/c9-7-5-3-1-2-4-6-8(7)10/h1-2,7H,3-6H2/b2-1-
InChIKeyULHIJCQHEHBSKY-UPHRSURJSA-N
MW158.63 g/mol
LogP2.29
Rot. Bonds

About (4Z)-8-chlorocyclooct-4-en-1-one

(4Z)-8-chlorocyclooct-4-en-1-one (PubChem CID 11019145) has the molecular formula C8H11ClO and a molecular weight of 158.63 g/mol. Its IUPAC name is (4Z)-8-chlorocyclooct-4-en-1-one.

Molecular Properties

Compound Name(4Z)-8-chlorocyclooct-4-en-1-one
PubChem CID11019145
Molecular FormulaC8H11ClO
Molecular Weight158.63 g/mol
Exact Mass158.05
IUPAC Name(4Z)-8-chlorocyclooct-4-en-1-one
SMILESO=C1CC/C=C\CCC1Cl
InChIInChI=1S/C8H11ClO/c9-7-5-3-1-2-4-6-8(7)10/h1-2,7H,3-6H2/b2-1-
InChIKeyULHIJCQHEHBSKY-UPHRSURJSA-N
XLogP2.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.63
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-8-chlorocyclooct-4-en-1-one?
The IUPAC name of (4Z)-8-chlorocyclooct-4-en-1-one (CID 11019145) is (4Z)-8-chlorocyclooct-4-en-1-one.
What is the SMILES notation for (4Z)-8-chlorocyclooct-4-en-1-one?
The canonical SMILES for (4Z)-8-chlorocyclooct-4-en-1-one is O=C1CC/C=C\CCC1Cl.
What is the InChIKey of (4Z)-8-chlorocyclooct-4-en-1-one?
The InChIKey is ULHIJCQHEHBSKY-UPHRSURJSA-N. The full InChI is InChI=1S/C8H11ClO/c9-7-5-3-1-2-4-6-8(7)10/h1-2,7H,3-6H2/b2-1-.
What are the key properties of (4Z)-8-chlorocyclooct-4-en-1-one?
(4Z)-8-chlorocyclooct-4-en-1-one has a molecular weight of 158.63 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-8-chlorocyclooct-4-en-1-one is sourced from PubChem (CID 11019145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).