About methane;2-(3-methylbut-1-ynyl)-6-propan-2-ylnaphthalene;2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)ethynyl]benzene;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene
methane;2-(3-methylbut-1-ynyl)-6-propan-2-ylnaphthalene;2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)ethynyl]benzene;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene (PubChem CID 158363741) has the molecular formula C88H100
and a molecular weight of 1157.77 g/mol. Its IUPAC name is methane;2-(3-methylbut-1-ynyl)-6-propan-2-ylnaphthalene;2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)ethynyl]benzene;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene.
Molecular Properties
| Compound Name | methane;2-(3-methylbut-1-ynyl)-6-propan-2-ylnaphthalene;2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)ethynyl]benzene;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene |
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| PubChem CID | 158363741 |
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| Molecular Formula | C88H100 |
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| Molecular Weight | 1157.77 g/mol |
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| Exact Mass | 1156.78 |
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| IUPAC Name | methane;2-(3-methylbut-1-ynyl)-6-propan-2-ylnaphthalene;2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)ethynyl]benzene;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene |
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| SMILES | C.C.CC(C)C#Cc1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc(-c2ccc3cc(C(C)C)ccc3c2)cc1.CC(C)c1ccc(C#Cc2ccc(C(C)C)cc2)cc1.CC(C)c1ccc2cc(-c3ccc4cc(C(C)C)ccc4c3)ccc2c1 |
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| InChI | InChI=1S/C26H26.C22H24.C20H22.C18H20.2CH4/c1-17(2)19-5-7-23-15-25(11-9-21(23)13-19)26-12-10-22-14-20(18(3)4)6-8-24(22)16-26;1-15(2)17-5-7-18(8-6-17)20-11-12-21-13-19(16(3)4)9-10-22(21)14-20;1-15(2)19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)16(3)4;1-13(2)5-6-15-7-8-18-12-16(14(3)4)9-10-17(18)11-15;;/h5-18H,1-4H3;5-16H,1-4H3;7-16H,1-4H3;7-14H,1-4H3;2*1H4 |
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| InChIKey | GTTVTHKRUSFQEG-UHFFFAOYSA-N |
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| XLogP | 26.24 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 88 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 1157.77 |
| LogP ≤ 5 | 26.24 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Analyze methane;2-(3-methylbut-1-ynyl)-6-propan-2-ylnaphthalene;2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)ethynyl]benzene;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene with MolForge
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Frequently Asked Questions
What is the IUPAC name of methane;2-(3-methylbut-1-ynyl)-6-propan-2-ylnaphthalene;2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)ethynyl]benzene;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene?
The IUPAC name of methane;2-(3-methylbut-1-ynyl)-6-propan-2-ylnaphthalene;2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)ethynyl]benzene;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene (CID 158363741) is methane;2-(3-methylbut-1-ynyl)-6-propan-2-ylnaphthalene;2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)ethynyl]benzene;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene.
What is the SMILES notation for methane;2-(3-methylbut-1-ynyl)-6-propan-2-ylnaphthalene;2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)ethynyl]benzene;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene?
The canonical SMILES for methane;2-(3-methylbut-1-ynyl)-6-propan-2-ylnaphthalene;2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)ethynyl]benzene;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene is C.C.CC(C)C#Cc1ccc2cc(C(C)C)ccc2c1.CC(C)c1ccc(-c2ccc3cc(C(C)C)ccc3c2)cc1.CC(C)c1ccc(C#Cc2ccc(C(C)C)cc2)cc1.CC(C)c1ccc2cc(-c3ccc4cc(C(C)C)ccc4c3)ccc2c1.
What is the InChIKey of methane;2-(3-methylbut-1-ynyl)-6-propan-2-ylnaphthalene;2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)ethynyl]benzene;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene?
The InChIKey is GTTVTHKRUSFQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26.C22H24.C20H22.C18H20.2CH4/c1-17(2)19-5-7-23-15-25(11-9-21(23)13-19)26-12-10-22-14-20(18(3)4)6-8-24(22)16-26;1-15(2)17-5-7-18(8-6-17)20-11-12-21-13-19(16(3)4)9-10-22(21)14-20;1-15(2)19-11-7-17(8-12-19)5-6-18-9-13-20(14-10-18)16(3)4;1-13(2)5-6-15-7-8-18-12-16(14(3)4)9-10-17(18)11-15;;/h5-18H,1-4H3;5-16H,1-4H3;7-16H,1-4H3;7-14H,1-4H3;2*1H4.
What are the key properties of methane;2-(3-methylbut-1-ynyl)-6-propan-2-ylnaphthalene;2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)ethynyl]benzene;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene?
methane;2-(3-methylbut-1-ynyl)-6-propan-2-ylnaphthalene;2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)ethynyl]benzene;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene has a molecular weight of 1157.77 g/mol, XLogP of 26.24, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(3-methylbut-1-ynyl)-6-propan-2-ylnaphthalene;2-propan-2-yl-6-(6-propan-2-ylnaphthalen-2-yl)naphthalene;1-propan-2-yl-4-[2-(4-propan-2-ylphenyl)ethynyl]benzene;2-propan-2-yl-6-(4-propan-2-ylphenyl)naphthalene is sourced from PubChem (CID 158363741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).