dimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate

C11H14O4 — CID 158390724

IUPACdimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=CC(C(=O)OC)CC(C)=C1
InChIInChI=1S/C11H14O4/c1-7-4-8(10(12)14-2)6-9(5-7)11(13)15-3/h4,6,9H,5H2,1-3H3
InChIKeyGWXUOFMLQYQHDB-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.23
Rot. Bonds2

About dimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate

dimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate (PubChem CID 158390724) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is dimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate
PubChem CID158390724
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Namedimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate
SMILESCOC(=O)C1=CC(C(=O)OC)CC(C)=C1
InChIInChI=1S/C11H14O4/c1-7-4-8(10(12)14-2)6-9(5-7)11(13)15-3/h4,6,9H,5H2,1-3H3
InChIKeyGWXUOFMLQYQHDB-UHFFFAOYSA-N
XLogP1.23
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl cyclohexa-1,5-diene-1,3-dicarboxylate
CID 10584037
methyl 3-formylcyclobut-2-ene-1-carboxylate
CID 171034915
methyl 3-[5-(cyclopropylmethyl)-2-methoxy-6-methyl-3-propan-2-ylpyridine-4-carbonyl]-5-methylcyclohexa-2,4-diene-1-carboxylate
CID 90987190
trimethyl (1S,2R)-3-methylcyclopent-3-ene-1,2,4-tricarboxylate
CID 135039154
dimethyl 4,5-dimethylcyclohex-4-ene-1,2-dicarboxylate
CID 3271327
methyl (2Z)-2-(2-methoxycarbonylcyclopropylidene)cyclopropane-1-carboxylate
CID 177449597
methyl 3-methylcyclopent-3-ene-1-carboxylate
CID 12732838
methyl 3-amino-4-chlorocyclohexa-2,4-diene-1-carboxylate
CID 163910502
6-methoxycarbonyl-2,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 2867460
CID 88581789
CID 88581789
methanol;methyl 4-methyl-2,3-dihydro-1H-pyrrole-2-carboxylate
CID 156837427
tetramethyl cyclohexa-2,5-diene-1,2,3,4-tetracarboxylate
CID 101243540

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate (CID 158390724) is dimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate is COC(=O)C1=CC(C(=O)OC)CC(C)=C1.
What is the InChIKey of dimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate?
The InChIKey is GWXUOFMLQYQHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-7-4-8(10(12)14-2)6-9(5-7)11(13)15-3/h4,6,9H,5H2,1-3H3.
What are the key properties of dimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate?
dimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-methylcyclohexa-1,5-diene-1,3-dicarboxylate is sourced from PubChem (CID 158390724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).