1-chloro-2-ethylcyclohexene

C8H13Cl — CID 68882917

IUPAC1-chloro-2-ethylcyclohexene
SMILESCCC1=C(Cl)CCCC1
InChIInChI=1S/C8H13Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H2,1H3
InChIKeyAXNGWBRNIHOZGG-UHFFFAOYSA-N
MW144.64 g/mol
LogP3.46
Rot. Bonds1

About 1-chloro-2-ethylcyclohexene

1-chloro-2-ethylcyclohexene (PubChem CID 68882917) has the molecular formula C8H13Cl and a molecular weight of 144.64 g/mol. Its IUPAC name is 1-chloro-2-ethylcyclohexene.

Molecular Properties

Compound Name1-chloro-2-ethylcyclohexene
PubChem CID68882917
Molecular FormulaC8H13Cl
Molecular Weight144.64 g/mol
Exact Mass144.07
IUPAC Name1-chloro-2-ethylcyclohexene
SMILESCCC1=C(Cl)CCCC1
InChIInChI=1S/C8H13Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H2,1H3
InChIKeyAXNGWBRNIHOZGG-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.64
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-Chloro-2-methylcyclohexene
CID 565361
5-Chloro-1,2-dimethyl-4,4,5-trifluorocyclohexene
CID 19593683
1-Chloro-2-(2-fluoroethyl)cyclohexene
CID 162785188
2-Chloro-1-methyl-3-methylidenecyclohexene
CID 21138318
3-Chloro-2-methylhept-2-ene
CID 12550096
(e)-4-Chloro-5-ethyloct-4-ene
CID 125476371
(e)-6-Chloro-5-methyldec-5-ene
CID 125476651
trans-4,5-Dichlor-1,2-dimethylcyclohexen
CID 129655447
Dichlorodimethylcyclohexene
CID 129802806
3,3-Dichloro-1,2-dipropylcyclopropene
CID 134877644
1,2-Dibutyl-3,3-dichlorocyclopropene
CID 134894468
1-(1-Chloroethyl)cyclohexene
CID 14174891

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethylcyclohexene?
The IUPAC name of 1-chloro-2-ethylcyclohexene (CID 68882917) is 1-chloro-2-ethylcyclohexene.
What is the SMILES notation for 1-chloro-2-ethylcyclohexene?
The canonical SMILES for 1-chloro-2-ethylcyclohexene is CCC1=C(Cl)CCCC1.
What is the InChIKey of 1-chloro-2-ethylcyclohexene?
The InChIKey is AXNGWBRNIHOZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13Cl/c1-2-7-5-3-4-6-8(7)9/h2-6H2,1H3.
What are the key properties of 1-chloro-2-ethylcyclohexene?
1-chloro-2-ethylcyclohexene has a molecular weight of 144.64 g/mol, XLogP of 3.46, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethylcyclohexene is sourced from PubChem (CID 68882917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).