dimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate

C25H24O6 — CID 15046008

IUPACdimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate
SMILESCOC(=O)C1C2C3C4C1C15C6C(=O)C7C8C6C6C(OC)C8C8(C3C(C(=O)OC)C4C618)C725
InChIInChI=1S/C25H24O6/c1-29-19-16-6-7-15-18(26)14(6)22-10-4-5-11(8(10)20(27)30-2)23(15,22)25(17(7)19)13(5)9(21(28)31-3)12(4)24(16,22)25/h4-17,19H,1-3H3
InChIKeyWYJOXVGJHFNGRO-UHFFFAOYSA-N
MW420.46 g/mol
LogP0.64
Rot. Bonds3

About dimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate

dimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate (PubChem CID 15046008) has the molecular formula C25H24O6 and a molecular weight of 420.46 g/mol. Its IUPAC name is dimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate.

Molecular Properties

Compound Namedimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate
PubChem CID15046008
Molecular FormulaC25H24O6
Molecular Weight420.46 g/mol
Exact Mass420.16
IUPAC Namedimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate
SMILESCOC(=O)C1C2C3C4C1C15C6C(=O)C7C8C6C6C(OC)C8C8(C3C(C(=O)OC)C4C618)C725
InChIInChI=1S/C25H24O6/c1-29-19-16-6-7-15-18(26)14(6)22-10-4-5-11(8(10)20(27)30-2)23(15,22)25(17(7)19)13(5)9(21(28)31-3)12(4)24(16,22)25/h4-17,19H,1-3H3
InChIKeyWYJOXVGJHFNGRO-UHFFFAOYSA-N
XLogP0.64
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate with MolForge

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Related Compounds

dimethyl 14,19-diiodoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate
CID 14869188
methyl (1R,2S,3S,4S)-3-methoxybicyclo[2.2.1]hept-5-ene-2-carboxylate
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CID 124788715
methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 130028820
dimethyl (2S,3R,6R,7S,9R,10S)-4,5-dimethylpentacyclo[4.4.0.02,4.03,8.05,7]decane-9,10-dicarboxylate
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dimethyl (3aS,4R,5R,7aS)-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4,5-dicarboxylate
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CID 98538878
dimethyl (1R,3S,5R,7R)-pentacyclo[5.4.1.03,10.05,9.08,11]dodecane-2,6-dicarboxylate
CID 99959650
methyl bicyclo[4.1.0]heptane-7-carboxylate
CID 534051
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Frequently Asked Questions

What is the IUPAC name of dimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate?
The IUPAC name of dimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate (CID 15046008) is dimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate.
What is the SMILES notation for dimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate?
The canonical SMILES for dimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate is COC(=O)C1C2C3C4C1C15C6C(=O)C7C8C6C6C(OC)C8C8(C3C(C(=O)OC)C4C618)C725.
What is the InChIKey of dimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate?
The InChIKey is WYJOXVGJHFNGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O6/c1-29-19-16-6-7-15-18(26)14(6)22-10-4-5-11(8(10)20(27)30-2)23(15,22)25(17(7)19)13(5)9(21(28)31-3)12(4)24(16,22)25/h4-17,19H,1-3H3.
What are the key properties of dimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate?
dimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate has a molecular weight of 420.46 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 14-methoxy-19-oxoundecacyclo[9.9.0.01,5.02,12.02,18.03,7.06,10.08,12.011,15.013,17.016,20]icosane-4,9-dicarboxylate is sourced from PubChem (CID 15046008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).