dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate

C26H28O6 — CID 14381409

IUPACdimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate
SMILESCOC(=O)C12C3C4C5C6C7C8C(C9C%10C8C6(OC)C6(C(=O)OC)C5C3C(C91)C%106)C2(OC)C74
InChIInChI=1S/C26H28O6/c1-29-21(27)23-13-5-6-14(23)8-10-16(6)24(22(28)30-2)15(5)9-7(13)17-11-12(18(8)25(17,23)31-3)20(10)26(24,32-4)19(9)11/h5-20H,1-4H3
InChIKeyZRYGHRPFGMGEPA-UHFFFAOYSA-N
MW436.50 g/mol
LogP1.08
Rot. Bonds4

About dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate

dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate (PubChem CID 14381409) has the molecular formula C26H28O6 and a molecular weight of 436.50 g/mol. Its IUPAC name is dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate.

Molecular Properties

Compound Namedimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate
PubChem CID14381409
Molecular FormulaC26H28O6
Molecular Weight436.50 g/mol
Exact Mass436.19
IUPAC Namedimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate
SMILESCOC(=O)C12C3C4C5C6C7C8C(C9C%10C8C6(OC)C6(C(=O)OC)C5C3C(C91)C%106)C2(OC)C74
InChIInChI=1S/C26H28O6/c1-29-21(27)23-13-5-6-14(23)8-10-16(6)24(22(28)30-2)15(5)9-7(13)17-11-12(18(8)25(17,23)31-3)20(10)26(24,32-4)19(9)11/h5-20H,1-4H3
InChIKeyZRYGHRPFGMGEPA-UHFFFAOYSA-N
XLogP1.08
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate?
The IUPAC name of dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate (CID 14381409) is dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate.
What is the SMILES notation for dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate?
The canonical SMILES for dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate is COC(=O)C12C3C4C5C6C7C8C(C9C%10C8C6(OC)C6(C(=O)OC)C5C3C(C91)C%106)C2(OC)C74.
What is the InChIKey of dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate?
The InChIKey is ZRYGHRPFGMGEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O6/c1-29-21(27)23-13-5-6-14(23)8-10-16(6)24(22(28)30-2)15(5)9-7(13)17-11-12(18(8)25(17,23)31-3)20(10)26(24,32-4)19(9)11/h5-20H,1-4H3.
What are the key properties of dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate?
dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate has a molecular weight of 436.50 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 11,16-dimethoxyundecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosane-1,6-dicarboxylate is sourced from PubChem (CID 14381409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).