ethyl 2-chlorocyclohexene-1-carboxylate

C9H13ClO2 — CID 130626954

IUPACethyl 2-chlorocyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(Cl)CCCC1
InChIInChI=1S/C9H13ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6H2,1H3
InChIKeyPPVCXRIDQRUHGN-UHFFFAOYSA-N
MW188.65 g/mol
LogP2.62
Rot. Bonds2

About ethyl 2-chlorocyclohexene-1-carboxylate

ethyl 2-chlorocyclohexene-1-carboxylate (PubChem CID 130626954) has the molecular formula C9H13ClO2 and a molecular weight of 188.65 g/mol. Its IUPAC name is ethyl 2-chlorocyclohexene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-chlorocyclohexene-1-carboxylate
PubChem CID130626954
Molecular FormulaC9H13ClO2
Molecular Weight188.65 g/mol
Exact Mass188.06
IUPAC Nameethyl 2-chlorocyclohexene-1-carboxylate
SMILESCCOC(=O)C1=C(Cl)CCCC1
InChIInChI=1S/C9H13ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6H2,1H3
InChIKeyPPVCXRIDQRUHGN-UHFFFAOYSA-N
XLogP2.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.65
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 2-methylcyclopent-1-ene-1-carboxylate
CID 13416667
1-Cyclohexene-1-carboxylic acid, ethyl ester
CID 74173
Ethyl 2-methylcyclohex-1-ene-1-carboxylate
CID 14890156
Ethyl 2-sulfanylcyclohex-1-ene-1-carboxylate
CID 18380060
Methyl 2-methyl-1-cyclohexene-1-carboxylate
CID 12527602
Ethyl 6-chlorocyclohexene-1-carboxylate
CID 102259204
Ethyl 2-(fluoromethyl)cyclopentene-1-carboxylate
CID 21676413
Dibutyl cyclohex-1-ene-1,2-dicarboxylate
CID 289821
Ethyl 2-chloro-3-oxocycloheptene-1-carboxylate
CID 12342077
2-Ethoxycarbonylcyclohexen-1-olate
CID 100929678
Potassium 2-ethoxycarbonylcyclohexen-1-olate
CID 134890034
Ethyl 2-fluorocyclohexene-1-carboxylate
CID 21676412

Frequently Asked Questions

What is the IUPAC name of ethyl 2-chlorocyclohexene-1-carboxylate?
The IUPAC name of ethyl 2-chlorocyclohexene-1-carboxylate (CID 130626954) is ethyl 2-chlorocyclohexene-1-carboxylate.
What is the SMILES notation for ethyl 2-chlorocyclohexene-1-carboxylate?
The canonical SMILES for ethyl 2-chlorocyclohexene-1-carboxylate is CCOC(=O)C1=C(Cl)CCCC1.
What is the InChIKey of ethyl 2-chlorocyclohexene-1-carboxylate?
The InChIKey is PPVCXRIDQRUHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h2-6H2,1H3.
What are the key properties of ethyl 2-chlorocyclohexene-1-carboxylate?
ethyl 2-chlorocyclohexene-1-carboxylate has a molecular weight of 188.65 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-chlorocyclohexene-1-carboxylate is sourced from PubChem (CID 130626954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).