6-chloro-2-ethylcyclohexa-1,3-diene

C8H11Cl — CID 70372426

IUPAC6-chloro-2-ethylcyclohexa-1,3-diene
SMILESCCC1=CC(Cl)CC=C1
InChIInChI=1S/C8H11Cl/c1-2-7-4-3-5-8(9)6-7/h3-4,6,8H,2,5H2,1H3
InChIKeyNNOPMFBAPSFAKX-UHFFFAOYSA-N
MW142.63 g/mol
LogP2.89
Rot. Bonds1

About 6-chloro-2-ethylcyclohexa-1,3-diene

6-chloro-2-ethylcyclohexa-1,3-diene (PubChem CID 70372426) has the molecular formula C8H11Cl and a molecular weight of 142.63 g/mol. Its IUPAC name is 6-chloro-2-ethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name6-chloro-2-ethylcyclohexa-1,3-diene
PubChem CID70372426
Molecular FormulaC8H11Cl
Molecular Weight142.63 g/mol
Exact Mass142.05
IUPAC Name6-chloro-2-ethylcyclohexa-1,3-diene
SMILESCCC1=CC(Cl)CC=C1
InChIInChI=1S/C8H11Cl/c1-2-7-4-3-5-8(9)6-7/h3-4,6,8H,2,5H2,1H3
InChIKeyNNOPMFBAPSFAKX-UHFFFAOYSA-N
XLogP2.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.63
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3-(Chloromethyl)-2,4-dimethylpenta-1,3-diene
CID 10866465
1-(Chloromethyl)cyclohepta-1,3,5-triene
CID 12899029
(1E,3E)-1-chloro-1,3-octadiene
CID 15469426
Methylene chlorobenzene
CID 54066459
o-Dichlortoluen
CID 66643258
p-Chloromethylene styrene
CID 67127404
1,2-Dichlorostyrene
CID 70013789
1-Chlor-p-xylol
CID 70269675
6-Chloro-2,4-octadiene
CID 85777789
Chloromyrcene
CID 88484480
Monochlorodecatriene
CID 129845848
Chlorocimene
CID 129865500

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethylcyclohexa-1,3-diene?
The IUPAC name of 6-chloro-2-ethylcyclohexa-1,3-diene (CID 70372426) is 6-chloro-2-ethylcyclohexa-1,3-diene.
What is the SMILES notation for 6-chloro-2-ethylcyclohexa-1,3-diene?
The canonical SMILES for 6-chloro-2-ethylcyclohexa-1,3-diene is CCC1=CC(Cl)CC=C1.
What is the InChIKey of 6-chloro-2-ethylcyclohexa-1,3-diene?
The InChIKey is NNOPMFBAPSFAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl/c1-2-7-4-3-5-8(9)6-7/h3-4,6,8H,2,5H2,1H3.
What are the key properties of 6-chloro-2-ethylcyclohexa-1,3-diene?
6-chloro-2-ethylcyclohexa-1,3-diene has a molecular weight of 142.63 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethylcyclohexa-1,3-diene is sourced from PubChem (CID 70372426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).