1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)
C128H104Y8-16 — CID 159611216
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)
SMILESC/[C-]=C(\C)c1[c-]c2cc3ccccc3cc2cc1.C/[C-]=C(\C)c1[c-]c2ccccc2cc1.C/[C-]=C(\C)c1[c-]cc2cc3cc4ccccc4cc3cc2c1.C/[C-]=C(\C)c1[c-]cc2cc3ccccc3cc2c1.C/[C-]=C(\C)c1[c-]cc2ccccc2c1.C/[C-]=C(\C)c1[c-]ccc2cc3ccccc3cc12.C/[C-]=C(\C)c1[c-]ccc2ccccc12.C/[C-]=C(\C)c1[c-]cccc1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C22H16.3C18H14.3C14H12.C10H10.8Y/c1-3-15(2)16-8-9-19-13-21-11-17-6-4-5-7-18(17)12-22(21)14-20(19)10-16;1-3-13(2)17-10-6-9-16-11-14-7-4-5-8-15(14)12-18(16)17;2*1-3-13(2)14-8-9-17-11-15-6-4-5-7-16(15)12-18(17)10-14;1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13;2*1-3-11(2)13-9-8-12-6-4-5-7-14(12)10-13;1-3-9(2)10-7-5-4-6-8-10;;;;;;;;/h4-7,9-14H,1-2H3;4-9,11-12H,1-2H3;4-7,9-12H,1-2H3;4-9,11-12H,1-2H3;4-9H,1-2H3;4-8,10H,1-2H3;4-9H,1-2H3;4-7H,1-2H3;;;;;;;;/q8*-2;;;;;;;;
InChIKeyKPASSSGTRLUSCC-UHFFFAOYSA-N
MW2353.49 g/mol
LogP35.52
Rot. Bonds8
About 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)
1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium) (PubChem CID 159611216) has the molecular formula C128H104Y8-16 and a molecular weight of 2353.49 g/mol. Its IUPAC name is 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium).
Molecular Properties
| Compound Name | 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium) |
|---|---|
| PubChem CID | 159611216 |
| Molecular Formula | C128H104Y8-16 |
| Molecular Weight | 2353.49 g/mol |
| Exact Mass | 2352.07 |
| IUPAC Name | 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium) |
| SMILES | C/[C-]=C(\C)c1[c-]c2cc3ccccc3cc2cc1.C/[C-]=C(\C)c1[c-]c2ccccc2cc1.C/[C-]=C(\C)c1[c-]cc2cc3cc4ccccc4cc3cc2c1.C/[C-]=C(\C)c1[c-]cc2cc3ccccc3cc2c1.C/[C-]=C(\C)c1[c-]cc2ccccc2c1.C/[C-]=C(\C)c1[c-]ccc2cc3ccccc3cc12.C/[C-]=C(\C)c1[c-]ccc2ccccc12.C/[C-]=C(\C)c1[c-]cccc1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y] |
| InChI | InChI=1S/C22H16.3C18H14.3C14H12.C10H10.8Y/c1-3-15(2)16-8-9-19-13-21-11-17-6-4-5-7-18(17)12-22(21)14-20(19)10-16;1-3-13(2)17-10-6-9-16-11-14-7-4-5-8-15(14)12-18(16)17;2*1-3-13(2)14-8-9-17-11-15-6-4-5-7-16(15)12-18(17)10-14;1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13;2*1-3-11(2)13-9-8-12-6-4-5-7-14(12)10-13;1-3-9(2)10-7-5-4-6-8-10;;;;;;;;/h4-7,9-14H,1-2H3;4-9,11-12H,1-2H3;4-7,9-12H,1-2H3;4-9,11-12H,1-2H3;4-9H,1-2H3;4-8,10H,1-2H3;4-9H,1-2H3;4-7H,1-2H3;;;;;;;;/q8*-2;;;;;;;; |
| InChIKey | KPASSSGTRLUSCC-UHFFFAOYSA-N |
| XLogP | 35.52 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 8 |
| Heavy Atoms | 136 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2353.49 |
| LogP ≤ 5 | 35.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|
Frequently Asked Questions
What is the IUPAC name of 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)?
The IUPAC name of 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium) (CID 159611216) is 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium).
What is the SMILES notation for 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)?
The canonical SMILES for 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium) is C/[C-]=C(\C)c1[c-]c2cc3ccccc3cc2cc1.C/[C-]=C(\C)c1[c-]c2ccccc2cc1.C/[C-]=C(\C)c1[c-]cc2cc3cc4ccccc4cc3cc2c1.C/[C-]=C(\C)c1[c-]cc2cc3ccccc3cc2c1.C/[C-]=C(\C)c1[c-]cc2ccccc2c1.C/[C-]=C(\C)c1[c-]ccc2cc3ccccc3cc12.C/[C-]=C(\C)c1[c-]ccc2ccccc12.C/[C-]=C(\C)c1[c-]cccc1.[Y].[Y].[Y].[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)?
The InChIKey is KPASSSGTRLUSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16.3C18H14.3C14H12.C10H10.8Y/c1-3-15(2)16-8-9-19-13-21-11-17-6-4-5-7-18(17)12-22(21)14-20(19)10-16;1-3-13(2)17-10-6-9-16-11-14-7-4-5-8-15(14)12-18(16)17;2*1-3-13(2)14-8-9-17-11-15-6-4-5-7-16(15)12-18(17)10-14;1-3-11(2)13-10-6-8-12-7-4-5-9-14(12)13;2*1-3-11(2)13-9-8-12-6-4-5-7-14(12)10-13;1-3-9(2)10-7-5-4-6-8-10;;;;;;;;/h4-7,9-14H,1-2H3;4-9,11-12H,1-2H3;4-7,9-12H,1-2H3;4-9,11-12H,1-2H3;4-9H,1-2H3;4-8,10H,1-2H3;4-9H,1-2H3;4-7H,1-2H3;;;;;;;;/q8*-2;;;;;;;;.
What are the key properties of 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium)?
1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium) has a molecular weight of 2353.49 g/mol, XLogP of 35.52, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-en-2-yl-2H-anthracen-2-ide;2-but-2-en-2-yl-1H-anthracen-1-ide;3-but-2-en-2-yl-2H-anthracen-2-ide;but-2-en-2-ylbenzene;1-but-2-en-2-yl-2H-naphthalen-2-ide;2-but-2-en-2-yl-1H-naphthalen-1-ide;3-but-2-en-2-yl-2H-naphthalen-2-ide;3-but-2-en-2-yl-2H-tetracen-2-ide;octakis(yttrium) is sourced from PubChem (CID 159611216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159611216 — identifiers, structure, computed properties (public domain)
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