dimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate

C24H22O4 — CID 134879540

IUPACdimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate
SMILESCOC(=O)C1C2C3=C4C5C6C3CC3C7=C8C(C36)C5C3(C(=O)OC)C4C2C(C71)C83
InChIInChI=1S/C24H22O4/c1-27-22(25)18-10-8-4-3-5-7-6(4)12-14(8)20-16(10)17-11(18)9(5)15-13(7)19(12)24(20,21(15)17)23(26)28-2/h4-7,10-13,16-21H,3H2,1-2H3
InChIKeyPTJNWDXIDBUFRJ-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.06
Rot. Bonds2

About dimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate

dimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate (PubChem CID 134879540) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is dimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate.

Molecular Properties

Compound Namedimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate
PubChem CID134879540
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Namedimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate
SMILESCOC(=O)C1C2C3=C4C5C6C3CC3C7=C8C(C36)C5C3(C(=O)OC)C4C2C(C71)C83
InChIInChI=1S/C24H22O4/c1-27-22(25)18-10-8-4-3-5-7-6(4)12-14(8)20-16(10)17-11(18)9(5)15-13(7)19(12)24(20,21(15)17)23(26)28-2/h4-7,10-13,16-21H,3H2,1-2H3
InChIKeyPTJNWDXIDBUFRJ-UHFFFAOYSA-N
XLogP2.06
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate with MolForge

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

Launch Full Analysis

Related Compounds

Methyl phomopsenonate
CID 25229139
Dimethyl 21,22,23,24-tetrachloroundecacyclo[12.10.0.01,20.02,6.03,13.04,11.05,9.07,20.010,17.012,16.015,19]tetracosa-10,21,23-triene-3,8-dicarboxylate
CID 134932797
dimethyl (1R,5S)-9-methyltricyclo[6.3.0.01,5]undec-8-ene-3,3-dicarboxylate
CID 164679622
methyl (3bR,6aS,7R,7aR)-5,5-dimethyl-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[b]pentalene-7-carboxylate
CID 338652
Methyl 5,5-dimethyl-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[b]pentalene-7-carboxylate
CID 4355759
Mocdehflvljclv-prrdbkrisa-
CID 13426392
dimethyl (1S,2R,6S,7R)-10-propan-2-ylidenetricyclo[5.2.1.02,6]decane-2,6-dicarboxylate
CID 13426393
Dimethyl 13,18-dioxononacyclo[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 14381389
Dimethyl 13,18-dioxononacyclo[12.6.0.02,6.04,11.05,9.07,20.010,17.012,16.015,19]icos-1(20)-ene-3,8-dicarboxylate
CID 14381395
Dimethyl undecacyclo[9.9.0.02,9.03,7.04,20.05,18.06,16.08,15.010,14.012,19.013,17]icosa-8,18-diene-1,6-dicarboxylate
CID 21597615
Methyl hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-2-ene-1-carboxylate
CID 91334302
Methyl 4-methyltetracyclo[6.2.1.13,6.02,7]dodec-7-ene-4-carboxylate
CID 145735628

Frequently Asked Questions

What is the IUPAC name of dimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate?
The IUPAC name of dimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate (CID 134879540) is dimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate.
What is the SMILES notation for dimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate?
The canonical SMILES for dimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate is COC(=O)C1C2C3=C4C5C6C3CC3C7=C8C(C36)C5C3(C(=O)OC)C4C2C(C71)C83.
What is the InChIKey of dimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate?
The InChIKey is PTJNWDXIDBUFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-27-22(25)18-10-8-4-3-5-7-6(4)12-14(8)20-16(10)17-11(18)9(5)15-13(7)19(12)24(20,21(15)17)23(26)28-2/h4-7,10-13,16-21H,3H2,1-2H3.
What are the key properties of dimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate?
dimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate has a molecular weight of 374.44 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl decacyclo[9.9.0.02,18.03,10.04,17.05,9.06,16.07,14.08,12.013,20]icosa-4(17),12-diene-9,15-dicarboxylate is sourced from PubChem (CID 134879540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).