dimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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

C24H20O4 — CID 10948715

IUPACdimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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
SMILESCOC(=O)C12C3[C@@H]4C5=C6[C@H]7C4C4[C@H]8C9=C([C@@H]43)[C@@H]1C1C([C@@H]6C(C(=O)OC)(C87)[C@@H]91)[C@H]52
InChIInChI=1S/C24H20O4/c1-27-21(25)23-15-5-3-4-6(15)10-12-8(4)16-7(3)11-9(5)17(23)13-14(18(10)23)20(12)24(16,19(11)13)22(26)28-2/h3-8,13-20H,1-2H3/t3?,4?,5-,6+,7+,8-,13?,14?,15?,16?,17-,18+,19+,20-,23?,24?
InChIKeyCNSGMZAVSIRWHQ-KPXCRWEBSA-N
MW372.42 g/mol
LogP1.67
Rot. Bonds2

About dimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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

dimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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 (PubChem CID 10948715) has the molecular formula C24H20O4 and a molecular weight of 372.42 g/mol. Its IUPAC name is dimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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.

Molecular Properties

Compound Namedimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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
PubChem CID10948715
Molecular FormulaC24H20O4
Molecular Weight372.42 g/mol
Exact Mass372.14
IUPAC Namedimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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
SMILESCOC(=O)C12C3[C@@H]4C5=C6[C@H]7C4C4[C@H]8C9=C([C@@H]43)[C@@H]1C1C([C@@H]6C(C(=O)OC)(C87)[C@@H]91)[C@H]52
InChIInChI=1S/C24H20O4/c1-27-21(25)23-15-5-3-4-6(15)10-12-8(4)16-7(3)11-9(5)17(23)13-14(18(10)23)20(12)24(16,19(11)13)22(26)28-2/h3-8,13-20H,1-2H3/t3?,4?,5-,6+,7+,8-,13?,14?,15?,16?,17-,18+,19+,20-,23?,24?
InChIKeyCNSGMZAVSIRWHQ-KPXCRWEBSA-N
XLogP1.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze dimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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?
The IUPAC name of dimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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 10948715) is dimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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.
What is the SMILES notation for dimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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?
The canonical SMILES for dimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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 is COC(=O)C12C3[C@@H]4C5=C6[C@H]7C4C4[C@H]8C9=C([C@@H]43)[C@@H]1C1C([C@@H]6C(C(=O)OC)(C87)[C@@H]91)[C@H]52.
What is the InChIKey of dimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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?
The InChIKey is CNSGMZAVSIRWHQ-KPXCRWEBSA-N. The full InChI is InChI=1S/C24H20O4/c1-27-21(25)23-15-5-3-4-6(15)10-12-8(4)16-7(3)11-9(5)17(23)13-14(18(10)23)20(12)24(16,19(11)13)22(26)28-2/h3-8,13-20H,1-2H3/t3?,4?,5-,6+,7+,8-,13?,14?,15?,16?,17-,18+,19+,20-,23?,24?.
What are the key properties of dimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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?
dimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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 has a molecular weight of 372.42 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,5R,7S,10R,12S,15S,17R,20S)-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 is sourced from PubChem (CID 10948715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).