dimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate

C15H16O4 — CID 23253408

IUPACdimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate
SMILESCOC(=O)C1=CC2C3C4CC4C4C(C13)C24C(=O)OC
InChIInChI=1S/C15H16O4/c1-18-13(16)7-4-8-9-5-3-6(5)11-12(10(7)9)15(8,11)14(17)19-2/h4-6,8-12H,3H2,1-2H3
InChIKeyMVKOAWCJKWGXMI-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.02
Rot. Bonds2

About dimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate

dimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate (PubChem CID 23253408) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is dimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate.

Molecular Properties

Compound Namedimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate
PubChem CID23253408
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Namedimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate
SMILESCOC(=O)C1=CC2C3C4CC4C4C(C13)C24C(=O)OC
InChIInChI=1S/C15H16O4/c1-18-13(16)7-4-8-9-5-3-6(5)11-12(10(7)9)15(8,11)14(17)19-2/h4-6,8-12H,3H2,1-2H3
InChIKeyMVKOAWCJKWGXMI-UHFFFAOYSA-N
XLogP1.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1R,2R,3R,6R,7R,8R)-pentacyclo[4.3.0.02,4.03,8.05,7]nonane-4-carboxylate
CID 98554819
methyl (1S,2R,3S,4R,5S,6S,7R,8R)-9-oxopentacyclo[4.4.0.02,4.03,8.05,7]decane-4-carboxylate
CID 10560113
methyl (1S,2S,3S,4S,5S,6R,7S,8R,9R)-9-hydroxypentacyclo[4.4.0.02,4.03,8.05,7]decane-4-carboxylate
CID 23228581
methyl (1S,2R,4S,5S,6R,7R)-tetracyclo[3.2.0.02,7.04,6]heptane-1-carboxylate
CID 177456125
methyl (1S,2S,3R,4R,5R,6S,8R,9R,10S,11S,13R,14S)-heptacyclo[6.6.0.02,6.03,13.04,11.05,9.010,14]tetradecane-1-carboxylate
CID 22869683
dimethyl pentacyclo[4.3.0.02,4.03,8.05,7]nonane-4,5-dicarboxylate
CID 53375881
methyl prismane-1-carboxylate
CID 102022545
dimethyl (1R)-4-fluorocyclopent-2-ene-1,2-dicarboxylate
CID 135226188
dimethyl (2R,5S,6R,7R)-6-hydroxytricyclo[3.3.1.02,7]non-3-ene-1,3-dicarboxylate
CID 11779970
dimethyl (2S,4R)-tetracyclo[3.2.0.02,7.04,6]heptane-1,6-dicarboxylate
CID 10727053
tetramethyl (2R,3R,4R,5S,7R,8S,9S,10S,12R,13R,14R,15S,17R,18S,19S,20S)-6,16-dioxadecacyclo[9.9.1.13,9.113,19.02,10.04,8.05,7.012,20.014,18.015,17]tricosane-5,7,15,17-tetracarboxylate
CID 101052362
methyl 4-(trifluoromethyl)cubane-1-carboxylate
CID 155982311

Frequently Asked Questions

What is the IUPAC name of dimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate?
The IUPAC name of dimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate (CID 23253408) is dimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate.
What is the SMILES notation for dimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate?
The canonical SMILES for dimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate is COC(=O)C1=CC2C3C4CC4C4C(C13)C24C(=O)OC.
What is the InChIKey of dimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate?
The InChIKey is MVKOAWCJKWGXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-18-13(16)7-4-8-9-5-3-6(5)11-12(10(7)9)15(8,11)14(17)19-2/h4-6,8-12H,3H2,1-2H3.
What are the key properties of dimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate?
dimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl pentacyclo[5.4.0.02,9.03,5.06,8]undec-10-ene-7,10-dicarboxylate is sourced from PubChem (CID 23253408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).