2,4-dichloro-1-ethylcyclohexa-1,3-diene

C8H10Cl2 — CID 19096890

IUPAC2,4-dichloro-1-ethylcyclohexa-1,3-diene
SMILESCCC1=C(Cl)C=C(Cl)CC1
InChIInChI=1S/C8H10Cl2/c1-2-6-3-4-7(9)5-8(6)10/h5H,2-4H2,1H3
InChIKeyUATULERQKGWBIF-UHFFFAOYSA-N
MW177.07 g/mol
LogP3.81
Rot. Bonds1

About 2,4-dichloro-1-ethylcyclohexa-1,3-diene

2,4-dichloro-1-ethylcyclohexa-1,3-diene (PubChem CID 19096890) has the molecular formula C8H10Cl2 and a molecular weight of 177.07 g/mol. Its IUPAC name is 2,4-dichloro-1-ethylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,4-dichloro-1-ethylcyclohexa-1,3-diene
PubChem CID19096890
Molecular FormulaC8H10Cl2
Molecular Weight177.07 g/mol
Exact Mass176.02
IUPAC Name2,4-dichloro-1-ethylcyclohexa-1,3-diene
SMILESCCC1=C(Cl)C=C(Cl)CC1
InChIInChI=1S/C8H10Cl2/c1-2-6-3-4-7(9)5-8(6)10/h5H,2-4H2,1H3
InChIKeyUATULERQKGWBIF-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
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

2-chloro-1-ethyl-4-methoxycyclohexa-1,3-diene
CID 142915949
2-chloro-1-ethylcyclohexa-1,3-diene
CID 66608212
1-ethyl-2,4-difluorocyclohexa-1,3-diene
CID 142010109
4-bromo-1-ethyl-2-methylcyclohexa-1,3-diene
CID 144960407
3,4-diethylcyclohexa-1,3-dien-1-amine
CID 143938092
4-ethyl-N-methyl-3-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 134549872
1-ethyl-2-fluorocyclohexa-1,3-diene;vanadium
CID 178170510
2-bromo-5-chlorocyclohexa-1,5-dien-1-amine
CID 145024618
1-ethyl-2-(2-methylprop-2-enyl)cyclobutene
CID 143714583
1-benzyl-4,5-diethyl-3,6-dihydro-2H-pyridine
CID 70971463
3,4-diethyl-2,5-dihydrotellurophene
CID 19855763
2,6,7-trichloro-3-ethyl-4H-azepine
CID 174251577

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-ethylcyclohexa-1,3-diene?
The IUPAC name of 2,4-dichloro-1-ethylcyclohexa-1,3-diene (CID 19096890) is 2,4-dichloro-1-ethylcyclohexa-1,3-diene.
What is the SMILES notation for 2,4-dichloro-1-ethylcyclohexa-1,3-diene?
The canonical SMILES for 2,4-dichloro-1-ethylcyclohexa-1,3-diene is CCC1=C(Cl)C=C(Cl)CC1.
What is the InChIKey of 2,4-dichloro-1-ethylcyclohexa-1,3-diene?
The InChIKey is UATULERQKGWBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2/c1-2-6-3-4-7(9)5-8(6)10/h5H,2-4H2,1H3.
What are the key properties of 2,4-dichloro-1-ethylcyclohexa-1,3-diene?
2,4-dichloro-1-ethylcyclohexa-1,3-diene has a molecular weight of 177.07 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-ethylcyclohexa-1,3-diene is sourced from PubChem (CID 19096890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).