1-chlorocycloocta-1,2-diene

C8H11Cl — CID 57063246

IUPAC1-chlorocycloocta-1,2-diene
SMILESClC1=C=CCCCCC1
InChIInChI=1S/C8H11Cl/c9-8-6-4-2-1-3-5-7-8/h4H,1-3,5,7H2
InChIKeyPAYMIUDMRSASRK-UHFFFAOYSA-N
MW142.63 g/mol
LogP3.23
Rot. Bonds

About 1-chlorocycloocta-1,2-diene

1-chlorocycloocta-1,2-diene (PubChem CID 57063246) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is 1-chlorocycloocta-1,2-diene.

Molecular Properties

Compound Name1-chlorocycloocta-1,2-diene
PubChem CID57063246
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name1-chlorocycloocta-1,2-diene
SMILESClC1=C=CCCCCC1
InChIInChI=1S/C8H11Cl/c9-8-6-4-2-1-3-5-7-8/h4H,1-3,5,7H2
InChIKeyPAYMIUDMRSASRK-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chlorocycloocta-1,2-diene?
The IUPAC name of 1-chlorocycloocta-1,2-diene (CID 57063246) is 1-chlorocycloocta-1,2-diene.
What is the SMILES notation for 1-chlorocycloocta-1,2-diene?
The canonical SMILES for 1-chlorocycloocta-1,2-diene is ClC1=C=CCCCCC1.
What is the InChIKey of 1-chlorocycloocta-1,2-diene?
The InChIKey is PAYMIUDMRSASRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl/c9-8-6-4-2-1-3-5-7-8/h4H,1-3,5,7H2.
What are the key properties of 1-chlorocycloocta-1,2-diene?
1-chlorocycloocta-1,2-diene has a molecular weight of 142.63 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorocycloocta-1,2-diene is sourced from PubChem (CID 57063246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).