dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate

C11H16O4 — CID 58517083

IUPACdimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate
SMILESCOC(=O)C1C=CC(C)C(C(=O)OC)C1
InChIInChI=1S/C11H16O4/c1-7-4-5-8(10(12)14-2)6-9(7)11(13)15-3/h4-5,7-9H,6H2,1-3H3
InChIKeyQRPTUCWMSCPKBF-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.16
Rot. Bonds2

About dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate

dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate (PubChem CID 58517083) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate
PubChem CID58517083
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namedimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate
SMILESCOC(=O)C1C=CC(C)C(C(=O)OC)C1
InChIInChI=1S/C11H16O4/c1-7-4-5-8(10(12)14-2)6-9(7)11(13)15-3/h4-5,7-9H,6H2,1-3H3
InChIKeyQRPTUCWMSCPKBF-UHFFFAOYSA-N
XLogP1.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 4,5-dimethylcyclohex-2-ene-1-carboxylate
CID 58517086
methyl (4R)-4-methylcyclopent-2-ene-1-carboxylate
CID 134358359
methyl (1S)-4-aminocyclopent-2-ene-1-carboxylate
CID 89349898
methyl 4-methyl-5-phenylcyclohex-2-ene-1-carboxylate
CID 58517085
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542
methyl 4-aminocyclopent-2-ene-1-carboxylate;hydrochloride
CID 18538082
methyl 4-(chloroamino)cyclopent-2-ene-1-carboxylate
CID 89206851
(4,5-dimethylcyclohex-2-ene-1-carbonyl) 4,5-dimethylcyclohex-2-ene-1-carboxylate
CID 141160090
(1S,2S,4R,5S)-4,5-dihydroxy-2-methoxycarbonylcyclohexane-1-carboxylic acid
CID 10856936
dimethyl (1R,2S,5S)-bicyclo[2.2.1]heptane-2,5-dicarboxylate
CID 174166263
methyl 4-hydroxycyclohex-2-ene-1-carboxylate
CID 85312144

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate?
The IUPAC name of dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate (CID 58517083) is dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate is COC(=O)C1C=CC(C)C(C(=O)OC)C1.
What is the InChIKey of dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate?
The InChIKey is QRPTUCWMSCPKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-7-4-5-8(10(12)14-2)6-9(7)11(13)15-3/h4-5,7-9H,6H2,1-3H3.
What are the key properties of dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate?
dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate has a molecular weight of 212.24 g/mol, XLogP of 1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-methylcyclohex-4-ene-1,3-dicarboxylate is sourced from PubChem (CID 58517083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).