About butane;ethylidenecyclobutane;1-methoxy-1-methylcyclopropane;3-methyloctane;3-methyl-1-oxa-8-azaspiro[4.5]decane
butane;ethylidenecyclobutane;1-methoxy-1-methylcyclopropane;3-methyloctane;3-methyl-1-oxa-8-azaspiro[4.5]decane (PubChem CID 171802038) has the molecular formula C33H67NO2
and a molecular weight of 509.90 g/mol. Its IUPAC name is butane;ethylidenecyclobutane;1-methoxy-1-methylcyclopropane;3-methyloctane;3-methyl-1-oxa-8-azaspiro[4.5]decane.
Molecular Properties
| Compound Name | butane;ethylidenecyclobutane;1-methoxy-1-methylcyclopropane;3-methyloctane;3-methyl-1-oxa-8-azaspiro[4.5]decane |
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| PubChem CID | 171802038 |
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| Molecular Formula | C33H67NO2 |
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| Molecular Weight | 509.90 g/mol |
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| Exact Mass | 509.52 |
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| IUPAC Name | butane;ethylidenecyclobutane;1-methoxy-1-methylcyclopropane;3-methyloctane;3-methyl-1-oxa-8-azaspiro[4.5]decane |
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| SMILES | CC1COC2(CCNCC2)C1.CC=C1CCC1.CCCC.CCCCCC(C)CC.COC1(C)CC1 |
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| InChI | InChI=1S/C9H17NO.C9H20.C6H10.C5H10O.C4H10/c1-8-6-9(11-7-8)2-4-10-5-3-9;1-4-6-7-8-9(3)5-2;1-2-6-4-3-5-6;1-5(6-2)3-4-5;1-3-4-2/h8,10H,2-7H2,1H3;9H,4-8H2,1-3H3;2H,3-5H2,1H3;3-4H2,1-2H3;3-4H2,1-2H3 |
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| InChIKey | WWFKMVXXLANTIF-UHFFFAOYSA-N |
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| XLogP | 9.89 |
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| TPSA | 30.49 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 509.90 |
| LogP ≤ 5 | 9.89 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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 butane;ethylidenecyclobutane;1-methoxy-1-methylcyclopropane;3-methyloctane;3-methyl-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of butane;ethylidenecyclobutane;1-methoxy-1-methylcyclopropane;3-methyloctane;3-methyl-1-oxa-8-azaspiro[4.5]decane (CID 171802038) is butane;ethylidenecyclobutane;1-methoxy-1-methylcyclopropane;3-methyloctane;3-methyl-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for butane;ethylidenecyclobutane;1-methoxy-1-methylcyclopropane;3-methyloctane;3-methyl-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for butane;ethylidenecyclobutane;1-methoxy-1-methylcyclopropane;3-methyloctane;3-methyl-1-oxa-8-azaspiro[4.5]decane is CC1COC2(CCNCC2)C1.CC=C1CCC1.CCCC.CCCCCC(C)CC.COC1(C)CC1.
What is the InChIKey of butane;ethylidenecyclobutane;1-methoxy-1-methylcyclopropane;3-methyloctane;3-methyl-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is WWFKMVXXLANTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C9H20.C6H10.C5H10O.C4H10/c1-8-6-9(11-7-8)2-4-10-5-3-9;1-4-6-7-8-9(3)5-2;1-2-6-4-3-5-6;1-5(6-2)3-4-5;1-3-4-2/h8,10H,2-7H2,1H3;9H,4-8H2,1-3H3;2H,3-5H2,1H3;3-4H2,1-2H3;3-4H2,1-2H3.
What are the key properties of butane;ethylidenecyclobutane;1-methoxy-1-methylcyclopropane;3-methyloctane;3-methyl-1-oxa-8-azaspiro[4.5]decane?
butane;ethylidenecyclobutane;1-methoxy-1-methylcyclopropane;3-methyloctane;3-methyl-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 509.90 g/mol, XLogP of 9.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethylidenecyclobutane;1-methoxy-1-methylcyclopropane;3-methyloctane;3-methyl-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 171802038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).