methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate

C13H16O5 — CID 100982225

IUPACmethyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate
SMILESCOC(=O)C1=CC2C3COC2(OC)C(=O)C1C3C
InChIInChI=1S/C13H16O5/c1-6-8-5-18-13(17-3)9(8)4-7(12(15)16-2)10(6)11(13)14/h4,6,8-10H,5H2,1-3H3
InChIKeyMENKYUCROXLRGK-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.54
Rot. Bonds2

About methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate

methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate (PubChem CID 100982225) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate.

Molecular Properties

Compound Namemethyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate
PubChem CID100982225
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Namemethyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate
SMILESCOC(=O)C1=CC2C3COC2(OC)C(=O)C1C3C
InChIInChI=1S/C13H16O5/c1-6-8-5-18-13(17-3)9(8)4-7(12(15)16-2)10(6)11(13)14/h4,6,8-10H,5H2,1-3H3
InChIKeyMENKYUCROXLRGK-UHFFFAOYSA-N
XLogP0.54
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate with MolForge

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Related Compounds

methyl (1S,2S,6S,7R)-4-acetyl-10,10-dimethoxy-11-oxo-3-oxatricyclo[5.2.2.02,6]undeca-4,8-diene-9-carboxylate
CID 12079325
(1S,8R,9S,12S)-3,3,11,11-tetramethyl-9-(3-methylbut-2-enyl)-2,4,10-trioxatetracyclo[7.4.1.01,6.08,12]tetradec-6-ene-5,14-dione
CID 102168232
(1S,2S,9S,11R)-4,4,13,13-tetramethyl-11-(3-methylbut-2-enyl)-3,5,12-trioxatetracyclo[7.4.1.02,7.02,11]tetradec-7-ene-6,10-dione
CID 102168233
dimethyl (1S,4R)-4,7,7-trimethoxy-8-oxobicyclo[2.2.2]oct-2-ene-2,5-dicarboxylate
CID 134925027
Dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate
CID 135067924
methyl (1R,2R,6R,7R)-11,11-dimethoxy-10-oxo-3-oxatricyclo[5.2.2.02,6]undec-8-ene-8-carboxylate
CID 15401612
Xkzhshnypsdphs-vevyydqmsa-
CID 21672501
Axvhsxplwyrqqz-dhjwiaqbsa-
CID 21672503
Ktgaeamnmkxmaa-lqtjewousa-
CID 21672504
Methyl 3-methoxy-6-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
CID 85231475
Methyl 3-methoxy-10,10-dimethyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
CID 85273132
Methyl 3-methoxy-10-methyl-2,5-dioxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-8-carboxylate
CID 85280907

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate?
The IUPAC name of methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate (CID 100982225) is methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate.
What is the SMILES notation for methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate?
The canonical SMILES for methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate is COC(=O)C1=CC2C3COC2(OC)C(=O)C1C3C.
What is the InChIKey of methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate?
The InChIKey is MENKYUCROXLRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c1-6-8-5-18-13(17-3)9(8)4-7(12(15)16-2)10(6)11(13)14/h4,6,8-10H,5H2,1-3H3.
What are the key properties of methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate?
methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate is sourced from PubChem (CID 100982225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).