ethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate

C11H16O4 — CID 11790517

IUPACethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1C(O)=C(C)C(=O)CC1C
InChIInChI=1S/C11H16O4/c1-4-15-11(14)9-6(2)5-8(12)7(3)10(9)13/h6,9,13H,4-5H2,1-3H3
InChIKeyGHBWWUWQFDYILH-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.61
Rot. Bonds2

About ethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate

ethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate (PubChem CID 11790517) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is ethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
PubChem CID11790517
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Nameethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
SMILESCCOC(=O)C1C(O)=C(C)C(=O)CC1C
InChIInChI=1S/C11H16O4/c1-4-15-11(14)9-6(2)5-8(12)7(3)10(9)13/h6,9,13H,4-5H2,1-3H3
InChIKeyGHBWWUWQFDYILH-UHFFFAOYSA-N
XLogP1.61
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
CID 3015856
ethyl (1S,6S)-3-ethyl-2,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate
CID 125485501
ethyl (1R,6S)-3-(1,2-benzoxazol-3-yl)-2-hydroxy-6-methyl-4-oxocyclohex-2-ene-1-carboxylate
CID 136745932
cis-ethyl (1S,2R)-2-methyl-5-oxocyclopentane-1-carboxylate
CID 15253094
ethyl (3S,4S)-4-methyl-2-oxopyrrolidine-3-carboxylate
CID 165064993
ethyl 3-methyl-1-oxo-3,4-dihydro-2H-naphthalene-2-carboxylate
CID 163595725
ethyl (5R)-3-bromo-5-methyl-2-oxocyclopentane-1-carboxylate
CID 11379665
ethyl (2R)-4-oxooxetane-2-carboxylate
CID 45090036
ethyl (7S)-3,7-dimethyl-2-oxocycloheptane-1-carboxylate
CID 11789100
cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 26967535
ethyl 3-methoxy-6-methyl-2-oxocyclohexane-1-carboxylate
CID 71386109
diethyl (2S,3R,5S,6S)-2,6-dimethyl-4-oxopiperidine-3,5-dicarboxylate
CID 124603795

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate?
The IUPAC name of ethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate (CID 11790517) is ethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate is CCOC(=O)C1C(O)=C(C)C(=O)CC1C.
What is the InChIKey of ethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate?
The InChIKey is GHBWWUWQFDYILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-4-15-11(14)9-6(2)5-8(12)7(3)10(9)13/h6,9,13H,4-5H2,1-3H3.
What are the key properties of ethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate?
ethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-3,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 11790517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).