potassium 2-ethoxycarbonylcyclohexen-1-olate

C9H13KO3 — CID 134890034

IUPACpotassium 2-ethoxycarbonylcyclohexen-1-olate
SMILESCCOC(=O)C1=C([O-])CCCC1.[K+]
InChIInChI=1S/C9H14O3.K/c1-2-12-9(11)7-5-3-4-6-8(7)10;/h10H,2-6H2,1H3;/q;+1/p-1
InChIKeyPJYXPFCBBQKFFL-UHFFFAOYSA-M
MW208.30 g/mol
LogP-2.26
Rot. Bonds2

About potassium 2-ethoxycarbonylcyclohexen-1-olate

potassium 2-ethoxycarbonylcyclohexen-1-olate (PubChem CID 134890034) has the molecular formula C9H13KO3 and a molecular weight of 208.30 g/mol. Its IUPAC name is potassium 2-ethoxycarbonylcyclohexen-1-olate.

Molecular Properties

Compound Namepotassium 2-ethoxycarbonylcyclohexen-1-olate
PubChem CID134890034
Molecular FormulaC9H13KO3
Molecular Weight208.30 g/mol
Exact Mass208.05
IUPAC Namepotassium 2-ethoxycarbonylcyclohexen-1-olate
SMILESCCOC(=O)C1=C([O-])CCCC1.[K+]
InChIInChI=1S/C9H14O3.K/c1-2-12-9(11)7-5-3-4-6-8(7)10;/h10H,2-6H2,1H3;/q;+1/p-1
InChIKeyPJYXPFCBBQKFFL-UHFFFAOYSA-M
XLogP-2.26
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 5-2.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Butyl-4-methyl-furan-2(5h)-one
CID 14616858
3-Oxo-cyclohex-1-enecarboxylic acid methyl ester
CID 581049
3-Furancarboxylic acid, 4,5-dihydro-2-methyl-5-propyl-, ethyl ester
CID 86111
1-Cyclohexene-1,2-dicarboxylic acid, 1,2-dimethyl ester
CID 78039
Ethyl 2-methylcyclopent-1-ene-1-carboxylate
CID 13416667
3-Methyl-4-pentylfuran-2,5-dione
CID 76319690
3-butyl-4,5,6,7-tetrahydro-3H-2-benzofuran-1-one
CID 5315566
1-Cyclohexene-1-carboxylic acid, ethyl ester
CID 74173
1-Cyclohexene-1-carboxylic acid, 6-oxo-, ethyl ester
CID 10888307
1-Cyclopentene-1-carboxylic acid, 2-methyl-, methyl ester
CID 11829529
Ethyl 2-methyl-5-oxo-cyclopentene-1-carboxylate
CID 12454216
Ethyl 2-methylcyclohex-1-ene-1-carboxylate
CID 14890156

Frequently Asked Questions

What is the IUPAC name of potassium 2-ethoxycarbonylcyclohexen-1-olate?
The IUPAC name of potassium 2-ethoxycarbonylcyclohexen-1-olate (CID 134890034) is potassium 2-ethoxycarbonylcyclohexen-1-olate.
What is the SMILES notation for potassium 2-ethoxycarbonylcyclohexen-1-olate?
The canonical SMILES for potassium 2-ethoxycarbonylcyclohexen-1-olate is CCOC(=O)C1=C([O-])CCCC1.[K+].
What is the InChIKey of potassium 2-ethoxycarbonylcyclohexen-1-olate?
The InChIKey is PJYXPFCBBQKFFL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H14O3.K/c1-2-12-9(11)7-5-3-4-6-8(7)10;/h10H,2-6H2,1H3;/q;+1/p-1.
What are the key properties of potassium 2-ethoxycarbonylcyclohexen-1-olate?
potassium 2-ethoxycarbonylcyclohexen-1-olate has a molecular weight of 208.30 g/mol, XLogP of -2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-ethoxycarbonylcyclohexen-1-olate is sourced from PubChem (CID 134890034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).