ethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate

C10H14O4 — CID 131849152

IUPACethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate
SMILESCCOC(=O)C1=C(O)C=C(O)CC1C
InChIInChI=1S/C10H14O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h5-6,11-12H,3-4H2,1-2H3
InChIKeyMKNWOQMXAKXPGL-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.84
Rot. Bonds2

About ethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate

ethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate (PubChem CID 131849152) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate
PubChem CID131849152
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Nameethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate
SMILESCCOC(=O)C1=C(O)C=C(O)CC1C
InChIInChI=1S/C10H14O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h5-6,11-12H,3-4H2,1-2H3
InChIKeyMKNWOQMXAKXPGL-UHFFFAOYSA-N
XLogP1.84
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-amino-3-methyl-3,4-dihydronaphthalene-2-carboxylate
CID 10911403
ethyl 4-methyl-2-oxo-6-phenyl-3,4-dihydro-1H-pyridine-5-carboxylate
CID 15011883
ethyl (3S,4S,5R)-3,4,5-trihydroxycyclohexene-1-carboxylate
CID 101471036
ethyl (3R,4S,5R)-3,4,5-trihydroxy(113C)cyclohexene-1-carboxylate
CID 10632002
diethyl (1S,4S,5S,8R,9S,10S,12S,13R)-3,6-dihydroxypentacyclo[6.5.0.04,12.05,10.09,13]trideca-2,6-diene-2,7-dicarboxylate
CID 98392308
ethyl 2-hydroxy-4-methyl-3,4-dihydronaphthalene-1-carboxylate
CID 142632126
ethyl 3-ethyl-2-hydroxy-6-methylcyclohexa-1,4-diene-1-carboxylate
CID 143197667
ethyl 2-methyl-3H-pyrrole-4-carboxylate
CID 159437732
CID 135044119
CID 135044119
CID 11389679
CID 11389679
ethyl 2-hydroxy-3-oxo-5,6,7,8-tetrahydropyrrolizine-1-carboxylate
CID 90336585
CID 11389678
CID 11389678

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate?
The IUPAC name of ethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate (CID 131849152) is ethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate.
What is the SMILES notation for ethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate?
The canonical SMILES for ethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate is CCOC(=O)C1=C(O)C=C(O)CC1C.
What is the InChIKey of ethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate?
The InChIKey is MKNWOQMXAKXPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4/c1-3-14-10(13)9-6(2)4-7(11)5-8(9)12/h5-6,11-12H,3-4H2,1-2H3.
What are the key properties of ethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate?
ethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dihydroxy-6-methylcyclohexa-1,3-diene-1-carboxylate is sourced from PubChem (CID 131849152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).