methyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate

C18H24O4 — CID 134842188

IUPACmethyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate
SMILESC=C1C(C2CCCCC2)C2CC1(C(=O)OC)C(=O)C=C2OC
InChIInChI=1S/C18H24O4/c1-11-16(12-7-5-4-6-8-12)13-10-18(11,17(20)22-3)15(19)9-14(13)21-2/h9,12-13,16H,1,4-8,10H2,2-3H3
InChIKeyJGQZAZQZNCFMHO-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.03
Rot. Bonds3

About methyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate

methyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate (PubChem CID 134842188) has the molecular formula C18H24O4 and a molecular weight of 304.39 g/mol. Its IUPAC name is methyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate
PubChem CID134842188
Molecular FormulaC18H24O4
Molecular Weight304.39 g/mol
Exact Mass304.17
IUPAC Namemethyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate
SMILESC=C1C(C2CCCCC2)C2CC1(C(=O)OC)C(=O)C=C2OC
InChIInChI=1S/C18H24O4/c1-11-16(12-7-5-4-6-8-12)13-10-18(11,17(20)22-3)15(19)9-14(13)21-2/h9,12-13,16H,1,4-8,10H2,2-3H3
InChIKeyJGQZAZQZNCFMHO-UHFFFAOYSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

dimethyl (4R,5R)-4-ethenyl-10-methyl-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate
CID 53356254
dimethyl (4S,5S)-4-ethenyl-10-methyl-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate
CID 102293427
dimethyl (4S,5S)-4-ethenyl-10-methoxy-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate
CID 102293433
Methyl 4-methoxy-7-methylidene-2-oxo-6-pentylbicyclo[3.2.1]oct-3-ene-1-carboxylate
CID 134842189
Methyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate
CID 134842240
Methyl 4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate
CID 134860155
dimethyl (1R,3aS,4S,7aS)-1,4,7a-trimethyl-3-methylidene-5-oxo-2,3a-dihydroindene-1,4-dicarboxylate
CID 135028460
dimethyl 6-acetyl-7-methyl-4-methylideneoctahydroazulene-2,2(1H)-dicarboxylate
CID 139117327
dimethyl 6-acetyl-3a-methyl-8-methylideneoctahydroazulene-2,2(1H)-dicarboxylate
CID 139117328
Dimethyl 6-acetyl-8-methylidene-1,3,3a,4,7,8a-hexahydroazulene-2,2-dicarboxylate
CID 139262203
Dimethyl 6-acetyl-5-methyl-8-methylidene-1,3,3a,4,7,8a-hexahydroazulene-2,2-dicarboxylate
CID 139262205
dimethyl 6-acetyl-8a-methyl-4-methylidene-3,3a,5,8-tetrahydro-1H-azulene-2,2-dicarboxylate
CID 139262207

Frequently Asked Questions

What is the IUPAC name of methyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate?
The IUPAC name of methyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate (CID 134842188) is methyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate.
What is the SMILES notation for methyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate?
The canonical SMILES for methyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate is C=C1C(C2CCCCC2)C2CC1(C(=O)OC)C(=O)C=C2OC.
What is the InChIKey of methyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate?
The InChIKey is JGQZAZQZNCFMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O4/c1-11-16(12-7-5-4-6-8-12)13-10-18(11,17(20)22-3)15(19)9-14(13)21-2/h9,12-13,16H,1,4-8,10H2,2-3H3.
What are the key properties of methyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate?
methyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate is sourced from PubChem (CID 134842188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).