dimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate

C26H28O6 — CID 15046013

IUPACdimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate
SMILESCOC(=O)C1C2C3=C4C5C(OC)C6C7=C(C8C(OC)C3C5C86)C1C1C7C(C(=O)OC)C4C21
InChIInChI=1S/C26H28O6/c1-29-23-17-7-9-13-5-6-12(21(11(5)7)25(27)31-3)8-10(14(6)22(13)26(28)32-4)20-16(18(8)23)15(17)19(9)24(20)30-2/h5-6,11-24H,1-4H3
InChIKeyZBKJLQGLZXAARM-UHFFFAOYSA-N
MW436.50 g/mol
LogP1.70
Rot. Bonds4

About dimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate

dimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate (PubChem CID 15046013) has the molecular formula C26H28O6 and a molecular weight of 436.50 g/mol. Its IUPAC name is dimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate.

Molecular Properties

Compound Namedimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate
PubChem CID15046013
Molecular FormulaC26H28O6
Molecular Weight436.50 g/mol
Exact Mass436.19
IUPAC Namedimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate
SMILESCOC(=O)C1C2C3=C4C5C(OC)C6C7=C(C8C(OC)C3C5C86)C1C1C7C(C(=O)OC)C4C21
InChIInChI=1S/C26H28O6/c1-29-23-17-7-9-13-5-6-12(21(11(5)7)25(27)31-3)8-10(14(6)22(13)26(28)32-4)20-16(18(8)23)15(17)19(9)24(20)30-2/h5-6,11-24H,1-4H3
InChIKeyZBKJLQGLZXAARM-UHFFFAOYSA-N
XLogP1.70
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 ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze dimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of dimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate?
The IUPAC name of dimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate (CID 15046013) is dimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate.
What is the SMILES notation for dimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate?
The canonical SMILES for dimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate is COC(=O)C1C2C3=C4C5C(OC)C6C7=C(C8C(OC)C3C5C86)C1C1C7C(C(=O)OC)C4C21.
What is the InChIKey of dimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate?
The InChIKey is ZBKJLQGLZXAARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28O6/c1-29-23-17-7-9-13-5-6-12(21(11(5)7)25(27)31-3)8-10(14(6)22(13)26(28)32-4)20-16(18(8)23)15(17)19(9)24(20)30-2/h5-6,11-24H,1-4H3.
What are the key properties of dimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate?
dimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate has a molecular weight of 436.50 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 13,18-dimethoxynonacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icosa-1(20),10-diene-3,8-dicarboxylate is sourced from PubChem (CID 15046013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).