dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate

C19H26O7 — CID 135067924

IUPACdimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate
SMILESCCCCC1C2C(=O)C3(OC)OCCC1C3C(C(=O)OC)=C2C(=O)OC
InChIInChI=1S/C19H26O7/c1-5-6-7-10-11-8-9-26-19(25-4)15(11)14(18(22)24-3)13(17(21)23-2)12(10)16(19)20/h10-12,15H,5-9H2,1-4H3
InChIKeyYROMPBURWFPVLG-UHFFFAOYSA-N
MW366.41 g/mol
LogP1.64
Rot. Bonds6

About dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate

dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate (PubChem CID 135067924) has the molecular formula C19H26O7 and a molecular weight of 366.41 g/mol. Its IUPAC name is dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate.

Molecular Properties

Compound Namedimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate
PubChem CID135067924
Molecular FormulaC19H26O7
Molecular Weight366.41 g/mol
Exact Mass366.17
IUPAC Namedimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate
SMILESCCCCC1C2C(=O)C3(OC)OCCC1C3C(C(=O)OC)=C2C(=O)OC
InChIInChI=1S/C19H26O7/c1-5-6-7-10-11-8-9-26-19(25-4)15(11)14(18(22)24-3)13(17(21)23-2)12(10)16(19)20/h10-12,15H,5-9H2,1-4H3
InChIKeyYROMPBURWFPVLG-UHFFFAOYSA-N
XLogP1.64
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate with MolForge

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Related Compounds

Dimethyl 11-butyl-2-oxo-3-prop-2-ynoxy-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate
CID 72807187
Dimethyl 3-acetyloxy-11-butyl-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate
CID 135068846
Methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate
CID 100982220
Methyl 3-methoxy-10-methyl-2-oxo-4-oxatricyclo[4.3.1.03,7]dec-8-ene-9-carboxylate
CID 100982225
Methyl 3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-10-carboxylate
CID 100982227
methyl (1R,3R,7R,8R)-1,3-dimethoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9-carboxylate
CID 10540842
dimethyl (1S,2S,7S,8S)-6,6,12,12-tetramethoxy-5,11-dioxotricyclo[6.2.2.02,7]dodeca-3,9-diene-2,9-dicarboxylate
CID 10740985
dimethyl (1S,4S,5S)-7,7-dimethoxy-5-methyl-8-oxobicyclo[2.2.2]oct-2-ene-2,5-dicarboxylate
CID 10892330
dimethyl (1S,3S,7R,8R,11R)-11-butyl-2-oxo-3-prop-2-ynoxy-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate
CID 11338287
Dimethyl 7,7-dimethoxy-8-oxobicyclo[2.2.2]oct-2-ene-2,5-dicarboxylate
CID 14313805
dimethyl (1S,4S,5S)-7,7-dimethoxy-8-oxobicyclo[2.2.2]oct-2-ene-2,5-dicarboxylate
CID 14313806
methyl (1R,4S,7S)-7-acetyl-5,5-dimethoxy-6-oxobicyclo[2.2.2]oct-2-ene-2-carboxylate
CID 15418713

Frequently Asked Questions

What is the IUPAC name of dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate?
The IUPAC name of dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate (CID 135067924) is dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate.
What is the SMILES notation for dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate?
The canonical SMILES for dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate is CCCCC1C2C(=O)C3(OC)OCCC1C3C(C(=O)OC)=C2C(=O)OC.
What is the InChIKey of dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate?
The InChIKey is YROMPBURWFPVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O7/c1-5-6-7-10-11-8-9-26-19(25-4)15(11)14(18(22)24-3)13(17(21)23-2)12(10)16(19)20/h10-12,15H,5-9H2,1-4H3.
What are the key properties of dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate?
dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate has a molecular weight of 366.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 11-butyl-3-methoxy-2-oxo-4-oxatricyclo[5.3.1.03,8]undec-9-ene-9,10-dicarboxylate is sourced from PubChem (CID 135067924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).