methyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate

C24H30O2 — CID 141218797

IUPACmethyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate
SMILESCOC(=O)C1CCCCCc2cccc(c2)-c2cccc(c2)CCCC1
InChIInChI=1S/C24H30O2/c1-26-24(25)21-13-4-2-3-9-19-11-7-15-22(17-19)23-16-8-12-20(18-23)10-5-6-14-21/h7-8,11-12,15-18,21H,2-6,9-10,13-14H2,1H3
InChIKeyZDFTZGWRKMXPNL-UHFFFAOYSA-N
MW350.50 g/mol
LogP5.97
Rot. Bonds1

About methyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate

methyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate (PubChem CID 141218797) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is methyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate.

Molecular Properties

Compound Namemethyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate
PubChem CID141218797
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Namemethyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate
SMILESCOC(=O)C1CCCCCc2cccc(c2)-c2cccc(c2)CCCC1
InChIInChI=1S/C24H30O2/c1-26-24(25)21-13-4-2-3-9-19-11-7-15-22(17-19)23-16-8-12-20(18-23)10-5-6-14-21/h7-8,11-12,15-18,21H,2-6,9-10,13-14H2,1H3
InChIKeyZDFTZGWRKMXPNL-UHFFFAOYSA-N
XLogP5.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.50
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze methyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate 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

ethane;methyl cyclohexanecarboxylate
CID 90871014
methyl 5-oxocyclodecane-1-carboxylate
CID 14288663
methyl cyclohexanecarboxylate;methyl piperidine-4-carboxylate
CID 158261910
methyl cyclobutanecarboxylate;hydrate
CID 175300594
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
cyclopentanecarboxylic acid;methane;methyl cyclopentanecarboxylate
CID 162270399
methyl 4-oxocycloheptane-1-carboxylate
CID 11116477
methyl 7-(3-aminophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxylate;hydrochloride
CID 66660910
[2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] cyclohexanecarboxylate
CID 9017205
cis-methyl (1S,3R)-3-[(3-chlorobenzoyl)-methylamino]cyclohexane-1-carboxylate
CID 118319568
methyl 8-(2,3,4,5,6,7-hexahydroazocin-8-yl)-2,3,4,5,6,7-hexahydroazocine-5-carboxylate
CID 175753812
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281

Frequently Asked Questions

What is the IUPAC name of methyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate?
The IUPAC name of methyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate (CID 141218797) is methyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate.
What is the SMILES notation for methyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate?
The canonical SMILES for methyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate is COC(=O)C1CCCCCc2cccc(c2)-c2cccc(c2)CCCC1.
What is the InChIKey of methyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate?
The InChIKey is ZDFTZGWRKMXPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2/c1-26-24(25)21-13-4-2-3-9-19-11-7-15-22(17-19)23-16-8-12-20(18-23)10-5-6-14-21/h7-8,11-12,15-18,21H,2-6,9-10,13-14H2,1H3.
What are the key properties of methyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate?
methyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate has a molecular weight of 350.50 g/mol, XLogP of 5.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl tricyclo[15.3.1.12,6]docosa-1(20),2,4,6(22),17(21),18-hexaene-11-carboxylate is sourced from PubChem (CID 141218797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).