About benzene;ethane;methane;naphthalene;toluene;1,2-xylene
benzene;ethane;methane;naphthalene;toluene;1,2-xylene (PubChem CID 174455493) has the molecular formula C34H42
and a molecular weight of 450.71 g/mol. Its IUPAC name is benzene;ethane;methane;naphthalene;toluene;1,2-xylene.
Molecular Properties
| Compound Name | benzene;ethane;methane;naphthalene;toluene;1,2-xylene |
|---|
| PubChem CID | 174455493 |
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| Molecular Formula | C34H42 |
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| Molecular Weight | 450.71 g/mol |
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| Exact Mass | 450.33 |
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| IUPAC Name | benzene;ethane;methane;naphthalene;toluene;1,2-xylene |
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| SMILES | C.CC.Cc1ccccc1.Cc1ccccc1C.c1ccc2ccccc2c1.c1ccccc1 |
|---|
| InChI | InChI=1S/C10H8.C8H10.C7H8.C6H6.C2H6.CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2;/h1-8H;3-6H,1-2H3;2-6H,1H3;1-6H;1-2H3;1H4 |
|---|
| InChIKey | PSKGLCKQUXHZTC-UHFFFAOYSA-N |
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| XLogP | 10.49 |
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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 | |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 450.71 |
| LogP ≤ 5 | 10.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of benzene;ethane;methane;naphthalene;toluene;1,2-xylene?
The IUPAC name of benzene;ethane;methane;naphthalene;toluene;1,2-xylene (CID 174455493) is benzene;ethane;methane;naphthalene;toluene;1,2-xylene.
What is the SMILES notation for benzene;ethane;methane;naphthalene;toluene;1,2-xylene?
The canonical SMILES for benzene;ethane;methane;naphthalene;toluene;1,2-xylene is C.CC.Cc1ccccc1.Cc1ccccc1C.c1ccc2ccccc2c1.c1ccccc1.
What is the InChIKey of benzene;ethane;methane;naphthalene;toluene;1,2-xylene?
The InChIKey is PSKGLCKQUXHZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C8H10.C7H8.C6H6.C2H6.CH4/c1-2-6-10-8-4-3-7-9(10)5-1;1-7-5-3-4-6-8(7)2;1-7-5-3-2-4-6-7;1-2-4-6-5-3-1;1-2;/h1-8H;3-6H,1-2H3;2-6H,1H3;1-6H;1-2H3;1H4.
What are the key properties of benzene;ethane;methane;naphthalene;toluene;1,2-xylene?
benzene;ethane;methane;naphthalene;toluene;1,2-xylene has a molecular weight of 450.71 g/mol, XLogP of 10.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methane;naphthalene;toluene;1,2-xylene is sourced from PubChem (CID 174455493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).