methyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate

C15H20O4 — CID 134842240

IUPACmethyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate
SMILESC=C1C(C(C)C)C2CC1(C(=O)OC)C(=O)C=C2OC
InChIInChI=1S/C15H20O4/c1-8(2)13-9(3)15(14(17)19-5)7-10(13)11(18-4)6-12(15)16/h6,8,10,13H,3,7H2,1-2,4-5H3
InChIKeyDQVPQHRUBHHABG-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.11
Rot. Bonds3

About methyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate

methyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate (PubChem CID 134842240) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate
PubChem CID134842240
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Namemethyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate
SMILESC=C1C(C(C)C)C2CC1(C(=O)OC)C(=O)C=C2OC
InChIInChI=1S/C15H20O4/c1-8(2)13-9(3)15(14(17)19-5)7-10(13)11(18-4)6-12(15)16/h6,8,10,13H,3,7H2,1-2,4-5H3
InChIKeyDQVPQHRUBHHABG-UHFFFAOYSA-N
XLogP2.11
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.11
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 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-Methoxy-1,8,8-trimethylbicyclo[3.2.1]oct-3-en-2-one
CID 2750836
dimethyl (3R,3aR)-3-methyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 11379748
dimethyl (3R,3aS)-3-methyl-5-oxo-1,3,3a,4-tetrahydropentalene-2,2-dicarboxylate
CID 11736851
dimethyl (4R,5R)-4-ethenyl-10-methyl-8-oxospiro[4.5]deca-6,9-diene-2,2-dicarboxylate
CID 53356254
(1S*,5R*)-Methyl 3-acetyl-2-methoxy-4,4-dimethyl-1,5-bis(3-methylbut-2-en-1-yl)cyclohex-2-enecarboxylate
CID 53364445
dimethyl (1R,8aS)-1-methyl-3-oxo-1,2,6,7,8,8a-hexahydroazulene-5,5-dicarboxylate
CID 71503831
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
dimethyl (4aS,7S,7aR)-3,7-dimethyl-1-oxo-4a,5,7,7a-tetrahydrocyclopenta[c]pyran-6,6-dicarboxylate
CID 132539452
Methyl 6-cyclohexyl-4-methoxy-7-methylidene-2-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate
CID 134842188
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-oxobicyclo[3.2.1]oct-3-ene-1-carboxylate
CID 134860155

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate?
The IUPAC name of methyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate (CID 134842240) is methyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate.
What is the SMILES notation for methyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate?
The canonical SMILES for methyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate is C=C1C(C(C)C)C2CC1(C(=O)OC)C(=O)C=C2OC.
What is the InChIKey of methyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate?
The InChIKey is DQVPQHRUBHHABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-8(2)13-9(3)15(14(17)19-5)7-10(13)11(18-4)6-12(15)16/h6,8,10,13H,3,7H2,1-2,4-5H3.
What are the key properties of methyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate?
methyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-7-methylidene-2-oxo-6-propan-2-ylbicyclo[3.2.1]oct-3-ene-1-carboxylate is sourced from PubChem (CID 134842240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).