methyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate

C24H30O2 — CID 117069798

IUPACmethyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate
SMILESCOC(=O)C1(C)C2C3CCC4=C5C6(C)C(C43)C2C2C1C1CC[C@]5(C)C1C26
InChIInChI=1S/C24H30O2/c1-22-8-7-11-16-14-13-15(24(16,3)21(25)26-4)9-5-6-10-12(9)18(13)23(2,20(10)22)19(14)17(11)22/h9,11-19H,5-8H2,1-4H3/t9?,11?,12?,13?,14?,15?,16?,17?,18?,19?,22-,23?,24?/m1/s1
InChIKeyXMLBTLAHJMQOTB-WWDACBJDSA-N
MW350.50 g/mol
LogP4.31
Rot. Bonds1

About methyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate

methyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate (PubChem CID 117069798) has the molecular formula C24H30O2 and a molecular weight of 350.50 g/mol. Its IUPAC name is methyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate.

Molecular Properties

Compound Namemethyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate
PubChem CID117069798
Molecular FormulaC24H30O2
Molecular Weight350.50 g/mol
Exact Mass350.22
IUPAC Namemethyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate
SMILESCOC(=O)C1(C)C2C3CCC4=C5C6(C)C(C43)C2C2C1C1CC[C@]5(C)C1C26
InChIInChI=1S/C24H30O2/c1-22-8-7-11-16-14-13-15(24(16,3)21(25)26-4)9-5-6-10-12(9)18(13)23(2,20(10)22)19(14)17(11)22/h9,11-19H,5-8H2,1-4H3/t9?,11?,12?,13?,14?,15?,16?,17?,18?,19?,22-,23?,24?/m1/s1
InChIKeyXMLBTLAHJMQOTB-WWDACBJDSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.50
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate with MolForge

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Related Compounds

methyl (1R,2S,5S,8R)-2,6,8-trimethyltricyclo[6.3.0.01,5]undec-6-ene-5-carboxylate
CID 15479093
methyl (1S,2S,5S,8R)-2,6,8-trimethyltricyclo[6.3.0.01,5]undec-6-ene-5-carboxylate
CID 162960156
methyl (3bR,6aS,7R,7aR)-5,5-dimethyl-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[b]pentalene-7-carboxylate
CID 338652
Ethyl 10,10-dimethyl-6-methylidenetricyclo[6.3.0.01,5]undecane-2-carboxylate
CID 15924075
Dimethyl 5-methyl-6,8-dioxotetracyclo[5.5.1.04,13.010,13]tridec-4-ene-2,2-dicarboxylate
CID 102509893
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
dimethyl (1R,5S)-9-methyltricyclo[6.3.0.01,5]undec-8-ene-3,3-dicarboxylate
CID 164679622
Methyl 5,5-dimethyl-1,2,3b,4,6,6a,7,7a-octahydrocyclopenta[b]pentalene-7-carboxylate
CID 4355759
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
12-Methoxycarbonylhexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecene
CID 86583768

Frequently Asked Questions

What is the IUPAC name of methyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate?
The IUPAC name of methyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate (CID 117069798) is methyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate.
What is the SMILES notation for methyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate?
The canonical SMILES for methyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate is COC(=O)C1(C)C2C3CCC4=C5C6(C)C(C43)C2C2C1C1CC[C@]5(C)C1C26.
What is the InChIKey of methyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate?
The InChIKey is XMLBTLAHJMQOTB-WWDACBJDSA-N. The full InChI is InChI=1S/C24H30O2/c1-22-8-7-11-16-14-13-15(24(16,3)21(25)26-4)9-5-6-10-12(9)18(13)23(2,20(10)22)19(14)17(11)22/h9,11-19H,5-8H2,1-4H3/t9?,11?,12?,13?,14?,15?,16?,17?,18?,19?,22-,23?,24?/m1/s1.
What are the key properties of methyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate?
methyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate has a molecular weight of 350.50 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (10R,15R)-2,10,15-trimethyloctacyclo[8.8.1.02,9.03,17.04,8.05,16.013,19.014,18]nonadec-8-ene-15-carboxylate is sourced from PubChem (CID 117069798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).