(1E,5E)-1,6-dichlorocycloocta-1,5-diene

C8H10Cl2 — CID 5368130

IUPAC(1E,5E)-1,6-dichlorocycloocta-1,5-diene
SMILESCl/C1=C/CC/C=C(/Cl)CC1
InChIInChI=1S/C8H10Cl2/c9-7-3-1-2-4-8(10)6-5-7/h3-4H,1-2,5-6H2/b7-3+,8-4+
InChIKeyKBTPRKBSGQDFGW-FCXRPNKRSA-N
MW177.07 g/mol
LogP3.81
Rot. Bonds

About (1E,5E)-1,6-dichlorocycloocta-1,5-diene

(1E,5E)-1,6-dichlorocycloocta-1,5-diene (PubChem CID 5368130) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is (1E,5E)-1,6-dichlorocycloocta-1,5-diene.

Molecular Properties

Compound Name(1E,5E)-1,6-dichlorocycloocta-1,5-diene
PubChem CID5368130
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Name(1E,5E)-1,6-dichlorocycloocta-1,5-diene
SMILESCl/C1=C/CC/C=C(/Cl)CC1
InChIInChI=1S/C8H10Cl2/c9-7-3-1-2-4-8(10)6-5-7/h3-4H,1-2,5-6H2/b7-3+,8-4+
InChIKeyKBTPRKBSGQDFGW-FCXRPNKRSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.07
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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
Chloro(1,5-cyclooctadiene)
CID 18175807
Dichloro-1,5-cyclo-octadiene
CID 18359518
(e)-3-Chloro-2-hexene
CID 88589144
2,7-Dichloroocta-2,6-diene
CID 71349870
2,4-Dichlorooct-4-ene
CID 71372291
1,3,7-Trichloro-3-heptene
CID 72727246

Frequently Asked Questions

What is the IUPAC name of (1E,5E)-1,6-dichlorocycloocta-1,5-diene?
The IUPAC name of (1E,5E)-1,6-dichlorocycloocta-1,5-diene (CID 5368130) is (1E,5E)-1,6-dichlorocycloocta-1,5-diene.
What is the SMILES notation for (1E,5E)-1,6-dichlorocycloocta-1,5-diene?
The canonical SMILES for (1E,5E)-1,6-dichlorocycloocta-1,5-diene is Cl/C1=C/CC/C=C(/Cl)CC1.
What is the InChIKey of (1E,5E)-1,6-dichlorocycloocta-1,5-diene?
The InChIKey is KBTPRKBSGQDFGW-FCXRPNKRSA-N. The full InChI is InChI=1S/C8H10Cl2/c9-7-3-1-2-4-8(10)6-5-7/h3-4H,1-2,5-6H2/b7-3+,8-4+.
What are the key properties of (1E,5E)-1,6-dichlorocycloocta-1,5-diene?
(1E,5E)-1,6-dichlorocycloocta-1,5-diene has a molecular weight of 177.07 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5E)-1,6-dichlorocycloocta-1,5-diene is sourced from PubChem (CID 5368130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).