(1E,5Z)-1-chlorocycloocta-1,5-diene

C8H11Cl — CID 18175807

IUPAC(1E,5Z)-1-chlorocycloocta-1,5-diene
SMILESCl/C1=C/CC/C=C\CC1
InChIInChI=1S/C8H11Cl/c9-8-6-4-2-1-3-5-7-8/h1-2,7H,3-6H2/b2-1-,8-7+
InChIKeyPHQVPLFRGMMSCP-CDTWYVJESA-N
MW142.63 g/mol
LogP3.24
Rot. Bonds

About (1E,5Z)-1-chlorocycloocta-1,5-diene

(1E,5Z)-1-chlorocycloocta-1,5-diene (PubChem CID 18175807) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is (1E,5Z)-1-chlorocycloocta-1,5-diene.

Molecular Properties

Compound Name(1E,5Z)-1-chlorocycloocta-1,5-diene
PubChem CID18175807
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name(1E,5Z)-1-chlorocycloocta-1,5-diene
SMILESCl/C1=C/CC/C=C\CC1
InChIInChI=1S/C8H11Cl/c9-8-6-4-2-1-3-5-7-8/h1-2,7H,3-6H2/b2-1-,8-7+
InChIKeyPHQVPLFRGMMSCP-CDTWYVJESA-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

Computed Properties (RDKit)

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

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Related Compounds

1,5-Cyclooctadiene, 1,6-dichloro-
CID 5368130
1,5-Dichloro-1,4-cyclooctadiene
CID 6435427
CID 34601
CID 34601
4-Octene, 4-chloro-, (Z)-
CID 5463484
(E)-4-Chloro-4-octene
CID 12500609
4-Chloro-hept-3-ene
CID 21572682
(Z)-3-Chlorhex-2-en
CID 12734570
Dichloro-1,5-cyclo-octadiene
CID 18359518
Chlorocyclooctadiene
CID 19018364
(e)-3-Chloro-2-hexene
CID 88589144
5-Chloro-1,4-nonadiene
CID 74377467
2,6-Dichloro-2,6-octadiene
CID 129659172

Frequently Asked Questions

What is the IUPAC name of (1E,5Z)-1-chlorocycloocta-1,5-diene?
The IUPAC name of (1E,5Z)-1-chlorocycloocta-1,5-diene (CID 18175807) is (1E,5Z)-1-chlorocycloocta-1,5-diene.
What is the SMILES notation for (1E,5Z)-1-chlorocycloocta-1,5-diene?
The canonical SMILES for (1E,5Z)-1-chlorocycloocta-1,5-diene is Cl/C1=C/CC/C=C\CC1.
What is the InChIKey of (1E,5Z)-1-chlorocycloocta-1,5-diene?
The InChIKey is PHQVPLFRGMMSCP-CDTWYVJESA-N. The full InChI is InChI=1S/C8H11Cl/c9-8-6-4-2-1-3-5-7-8/h1-2,7H,3-6H2/b2-1-,8-7+.
What are the key properties of (1E,5Z)-1-chlorocycloocta-1,5-diene?
(1E,5Z)-1-chlorocycloocta-1,5-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,5Z)-1-chlorocycloocta-1,5-diene is sourced from PubChem (CID 18175807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).