About (8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene
(8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene (PubChem CID 22808191) has the molecular formula C36H66O5
and a molecular weight of 578.92 g/mol. Its IUPAC name is (8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene.
Molecular Properties
| Compound Name | (8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene |
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| PubChem CID | 22808191 |
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| Molecular Formula | C36H66O5 |
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| Molecular Weight | 578.92 g/mol |
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| Exact Mass | 578.49 |
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| IUPAC Name | (8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene |
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| SMILES | C=CCCC(CC[C@H](C)CC(COCCOC)OC(COCCOC)C[C@@H](C)CCC(CCC=C)C(=C)C)C(=C)C |
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| InChI | InChI=1S/C36H66O5/c1-11-13-15-33(29(3)4)19-17-31(7)25-35(27-39-23-21-37-9)41-36(28-40-24-22-38-10)26-32(8)18-20-34(30(5)6)16-14-12-2/h11-12,31-36H,1-3,5,13-28H2,4,6-10H3/t31-,32-,33?,34?,35?,36?/m0/s1 |
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| InChIKey | NNVQAOMIGUDPOX-WIBDXCTGSA-N |
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| XLogP | 9.00 |
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| TPSA | 46.15 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 30 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 578.92 |
| LogP ≤ 5 | 9.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene?
The IUPAC name of (8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene (CID 22808191) is (8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene.
What is the SMILES notation for (8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene?
The canonical SMILES for (8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene is C=CCCC(CC[C@H](C)CC(COCCOC)OC(COCCOC)C[C@@H](C)CCC(CCC=C)C(=C)C)C(=C)C.
What is the InChIKey of (8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene?
The InChIKey is NNVQAOMIGUDPOX-WIBDXCTGSA-N. The full InChI is InChI=1S/C36H66O5/c1-11-13-15-33(29(3)4)19-17-31(7)25-35(27-39-23-21-37-9)41-36(28-40-24-22-38-10)26-32(8)18-20-34(30(5)6)16-14-12-2/h11-12,31-36H,1-3,5,13-28H2,4,6-10H3/t31-,32-,33?,34?,35?,36?/m0/s1.
What are the key properties of (8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene?
(8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene has a molecular weight of 578.92 g/mol, XLogP of 9.00, 30 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-11-(2-methoxyethoxy)-10-[(4S)-1-(2-methoxyethoxy)-4-methyl-7-prop-1-en-2-ylundec-10-en-2-yl]oxy-8-methyl-5-prop-1-en-2-ylundec-1-ene is sourced from PubChem (CID 22808191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).