methyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate

C14H18O6 — CID 10540842

IUPACmethyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate
SMILESCOC(=O)C1=C[C@]2(OC)C[C@H]3CCO[C@@](OC)(C2=O)[C@@H]13
InChIInChI=1S/C14H18O6/c1-17-11(15)9-7-13(18-2)6-8-4-5-20-14(19-3,10(8)9)12(13)16/h7-8,10H,4-6H2,1-3H3/t8-,10-,13-,14-/m1/s1
InChIKeyWERYOWXZWWLLAQ-KNJXUWEQSA-N
MW282.29 g/mol
LogP0.45
Rot. Bonds3

About methyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate

methyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate (PubChem CID 10540842) has the molecular formula C14H18O6 and a molecular weight of 282.29 g/mol. Its IUPAC name is methyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate.

Molecular Properties

Compound Namemethyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate
PubChem CID10540842
Molecular FormulaC14H18O6
Molecular Weight282.29 g/mol
Exact Mass282.11
IUPAC Namemethyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate
SMILESCOC(=O)C1=C[C@]2(OC)C[C@H]3CCO[C@@](OC)(C2=O)[C@@H]13
InChIInChI=1S/C14H18O6/c1-17-11(15)9-7-13(18-2)6-8-4-5-20-14(19-3,10(8)9)12(13)16/h7-8,10H,4-6H2,1-3H3/t8-,10-,13-,14-/m1/s1
InChIKeyWERYOWXZWWLLAQ-KNJXUWEQSA-N
XLogP0.45
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate with MolForge

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Related Compounds

methyl (1S,2S,6S,7R)-4-formyl-10,10-dimethoxy-11-oxo-3-oxatricyclo[5.2.2.02,6]undeca-4,8-diene-9-carboxylate
CID 11278246
4-O-ethyl 9-O-methyl (1S,2S,6S,7R)-10,10-dimethoxy-11-oxo-3-oxatricyclo[5.2.2.02,6]undeca-4,8-diene-4,9-dicarboxylate
CID 12079324
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
methyl (1S,2S,6S,7R)-10,10-dimethoxy-2,4-dimethyl-11-oxo-3-oxatricyclo[5.2.2.02,6]undeca-4,8-diene-9-carboxylate
CID 12079326
methyl (1S,2S,6S,7R)-10,10-dimethoxy-11-oxo-3-oxatricyclo[5.2.2.02,6]undeca-4,8-diene-9-carboxylate
CID 15425724
Dimethyl 11-butyl-2-oxo-3-prop-2-ynoxy-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate
CID 72807187
(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
dimethyl (1S,4R)-4,7,7-trimethoxy-8-oxobicyclo[2.2.2]oct-2-ene-2,5-dicarboxylate
CID 134925027
methyl (1S,2S,6S,7R)-4-formyl-10,10-dimethoxy-2-methyl-11-oxo-3-oxatricyclo[5.2.2.02,6]undeca-4,8-diene-9-carboxylate
CID 134980136
methyl (1S,2S,6S,7R)-10,10-dimethoxy-2-methyl-11-oxo-3-oxatricyclo[5.2.2.02,6]undeca-4,8-diene-9-carboxylate
CID 134980306
methyl (1S,2S,6S,7R)-4-acetyl-10,10-dimethoxy-2-methyl-11-oxo-3-oxatricyclo[5.2.2.02,6]undeca-4,8-diene-9-carboxylate
CID 134980512
4-O-ethyl 9-O-methyl (1S,2S,6S,7R)-10,10-dimethoxy-2-methyl-11-oxo-3-oxatricyclo[5.2.2.02,6]undeca-4,8-diene-4,9-dicarboxylate
CID 134980720

Frequently Asked Questions

What is the IUPAC name of methyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate?
The IUPAC name of methyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate (CID 10540842) is methyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate.
What is the SMILES notation for methyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate?
The canonical SMILES for methyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate is COC(=O)C1=C[C@]2(OC)C[C@H]3CCO[C@@](OC)(C2=O)[C@@H]13.
What is the InChIKey of methyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate?
The InChIKey is WERYOWXZWWLLAQ-KNJXUWEQSA-N. The full InChI is InChI=1S/C14H18O6/c1-17-11(15)9-7-13(18-2)6-8-4-5-20-14(19-3,10(8)9)12(13)16/h7-8,10H,4-6H2,1-3H3/t8-,10-,13-,14-/m1/s1.
What are the key properties of methyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate?
methyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate has a molecular weight of 282.29 g/mol, XLogP of 0.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate is sourced from PubChem (CID 10540842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).