2-methoxycarbonylcyclohexen-1-olate

C8H11O3- — CID 135047937

IUPAC2-methoxycarbonylcyclohexen-1-olate
SMILESCOC(=O)C1=C([O-])CCCC1
InChIInChI=1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h9H,2-5H2,1H3/p-1
InChIKeyWDOOYXURYBYYAM-UHFFFAOYSA-M
MW155.17 g/mol
LogP0.35
Rot. Bonds1

About 2-methoxycarbonylcyclohexen-1-olate

2-methoxycarbonylcyclohexen-1-olate (PubChem CID 135047937) has the molecular formula C8H11O3- and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-methoxycarbonylcyclohexen-1-olate.

Molecular Properties

Compound Name2-methoxycarbonylcyclohexen-1-olate
PubChem CID135047937
Molecular FormulaC8H11O3-
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name2-methoxycarbonylcyclohexen-1-olate
SMILESCOC(=O)C1=C([O-])CCCC1
InChIInChI=1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h9H,2-5H2,1H3/p-1
InChIKeyWDOOYXURYBYYAM-UHFFFAOYSA-M
XLogP0.35
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hexyl-3-methylmaleic anhydride
CID 11127184
Methyl cyclohex-1-ene-1-carboxylate
CID 87647
3-Oxo-cyclohex-1-enecarboxylic acid methyl ester
CID 581049
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-Cyclopentene-1-carboxylic acid, 2-methyl-, methyl ester
CID 11829529
Ethyl 2-methylcyclohex-1-ene-1-carboxylate
CID 14890156
Ethyl 2-sulfanylcyclohex-1-ene-1-carboxylate
CID 18380060
Ethyl 2-hydroxycyclohex-1-ene-1-carboxylate
CID 54695815

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonylcyclohexen-1-olate?
The IUPAC name of 2-methoxycarbonylcyclohexen-1-olate (CID 135047937) is 2-methoxycarbonylcyclohexen-1-olate.
What is the SMILES notation for 2-methoxycarbonylcyclohexen-1-olate?
The canonical SMILES for 2-methoxycarbonylcyclohexen-1-olate is COC(=O)C1=C([O-])CCCC1.
What is the InChIKey of 2-methoxycarbonylcyclohexen-1-olate?
The InChIKey is WDOOYXURYBYYAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12O3/c1-11-8(10)6-4-2-3-5-7(6)9/h9H,2-5H2,1H3/p-1.
What are the key properties of 2-methoxycarbonylcyclohexen-1-olate?
2-methoxycarbonylcyclohexen-1-olate has a molecular weight of 155.17 g/mol, XLogP of 0.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonylcyclohexen-1-olate is sourced from PubChem (CID 135047937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).