1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene
C201H234 — CID 160586545
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene
SMILESCC(C)c1cccc2ccccc12.Cc1cc(C(C)C)c2ccccc2c1.Cc1cc(C)c2c(C(C)C)cccc2c1.Cc1cc(C)c2cccc(C(C)C)c2c1.Cc1cc2cccc(C(C)C)c2cc1C.Cc1ccc(C(C)C)c2ccccc12.Cc1ccc(C)c2c(C(C)C)cccc12.Cc1ccc2c(C(C)C)cccc2c1.Cc1ccc2c(C(C)C)cccc2c1C.Cc1ccc2cccc(C(C)C)c2c1.Cc1ccc2cccc(C(C)C)c2c1C.Cc1ccc2ccccc2c1C(C)C.Cc1cccc2c(C(C)C)cccc12.Cc1cccc2cccc(C(C)C)c12
InChIInChI=1S/6C15H18.7C14H16.C13H14/c1-10(2)14-7-5-6-13-8-11(3)12(4)9-15(13)14;1-10(2)13-6-5-7-14-12(4)8-11(3)9-15(13)14;1-10(2)14-7-5-6-13-9-11(3)8-12(4)15(13)14;1-10(2)13-6-5-7-14-12(4)11(3)8-9-15(13)14;1-10(2)14-7-5-6-13-9-8-11(3)12(4)15(13)14;1-10(2)13-6-5-7-14-11(3)8-9-12(4)15(13)14;1-10(2)12-7-5-8-13-11(3)6-4-9-14(12)13;1-10(2)13-9-5-8-12-7-4-6-11(3)14(12)13;1-10(2)13-6-4-5-12-9-11(3)7-8-14(12)13;1-10(2)13-6-4-5-12-8-7-11(3)9-14(12)13;1-10(2)14-9-11(3)8-12-6-4-5-7-13(12)14;1-10(2)12-9-8-11(3)13-6-4-5-7-14(12)13;1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h6*5-10H,1-4H3;7*4-10H,1-3H3;3-10H,1-2H3
InChIKeyRCLSAZIBJGIMFG-UHFFFAOYSA-N
MW2650.08 g/mol
LogP61.34
Rot. Bonds14
About 1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene
1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene (PubChem CID 160586545) has the molecular formula C201H234 and a molecular weight of 2650.08 g/mol. Its IUPAC name is 1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene.
Molecular Properties
| Compound Name | 1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene |
|---|---|
| PubChem CID | 160586545 |
| Molecular Formula | C201H234 |
| Molecular Weight | 2650.08 g/mol |
| Exact Mass | 2647.83 |
| IUPAC Name | 1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene |
| SMILES | CC(C)c1cccc2ccccc12.Cc1cc(C(C)C)c2ccccc2c1.Cc1cc(C)c2c(C(C)C)cccc2c1.Cc1cc(C)c2cccc(C(C)C)c2c1.Cc1cc2cccc(C(C)C)c2cc1C.Cc1ccc(C(C)C)c2ccccc12.Cc1ccc(C)c2c(C(C)C)cccc12.Cc1ccc2c(C(C)C)cccc2c1.Cc1ccc2c(C(C)C)cccc2c1C.Cc1ccc2cccc(C(C)C)c2c1.Cc1ccc2cccc(C(C)C)c2c1C.Cc1ccc2ccccc2c1C(C)C.Cc1cccc2c(C(C)C)cccc12.Cc1cccc2cccc(C(C)C)c12 |
| InChI | InChI=1S/6C15H18.7C14H16.C13H14/c1-10(2)14-7-5-6-13-8-11(3)12(4)9-15(13)14;1-10(2)13-6-5-7-14-12(4)8-11(3)9-15(13)14;1-10(2)14-7-5-6-13-9-11(3)8-12(4)15(13)14;1-10(2)13-6-5-7-14-12(4)11(3)8-9-15(13)14;1-10(2)14-7-5-6-13-9-8-11(3)12(4)15(13)14;1-10(2)13-6-5-7-14-11(3)8-9-12(4)15(13)14;1-10(2)12-7-5-8-13-11(3)6-4-9-14(12)13;1-10(2)13-9-5-8-12-7-4-6-11(3)14(12)13;1-10(2)13-6-4-5-12-9-11(3)7-8-14(12)13;1-10(2)13-6-4-5-12-8-7-11(3)9-14(12)13;1-10(2)14-9-11(3)8-12-6-4-5-7-13(12)14;1-10(2)12-9-8-11(3)13-6-4-5-7-14(12)13;1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h6*5-10H,1-4H3;7*4-10H,1-3H3;3-10H,1-2H3 |
| InChIKey | RCLSAZIBJGIMFG-UHFFFAOYSA-N |
| XLogP | 61.34 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 14 |
| Heavy Atoms | 201 |
| Complexity | — |
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2650.08 |
| LogP ≤ 5 | 61.34 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Frequently Asked Questions
What is the IUPAC name of 1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene?
The IUPAC name of 1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene (CID 160586545) is 1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene.
What is the SMILES notation for 1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene?
The canonical SMILES for 1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene is CC(C)c1cccc2ccccc12.Cc1cc(C(C)C)c2ccccc2c1.Cc1cc(C)c2c(C(C)C)cccc2c1.Cc1cc(C)c2cccc(C(C)C)c2c1.Cc1cc2cccc(C(C)C)c2cc1C.Cc1ccc(C(C)C)c2ccccc12.Cc1ccc(C)c2c(C(C)C)cccc12.Cc1ccc2c(C(C)C)cccc2c1.Cc1ccc2c(C(C)C)cccc2c1C.Cc1ccc2cccc(C(C)C)c2c1.Cc1ccc2cccc(C(C)C)c2c1C.Cc1ccc2ccccc2c1C(C)C.Cc1cccc2c(C(C)C)cccc12.Cc1cccc2cccc(C(C)C)c12.
What is the InChIKey of 1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene?
The InChIKey is RCLSAZIBJGIMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/6C15H18.7C14H16.C13H14/c1-10(2)14-7-5-6-13-8-11(3)12(4)9-15(13)14;1-10(2)13-6-5-7-14-12(4)8-11(3)9-15(13)14;1-10(2)14-7-5-6-13-9-11(3)8-12(4)15(13)14;1-10(2)13-6-5-7-14-12(4)11(3)8-9-15(13)14;1-10(2)14-7-5-6-13-9-8-11(3)12(4)15(13)14;1-10(2)13-6-5-7-14-11(3)8-9-12(4)15(13)14;1-10(2)12-7-5-8-13-11(3)6-4-9-14(12)13;1-10(2)13-9-5-8-12-7-4-6-11(3)14(12)13;1-10(2)13-6-4-5-12-9-11(3)7-8-14(12)13;1-10(2)13-6-4-5-12-8-7-11(3)9-14(12)13;1-10(2)14-9-11(3)8-12-6-4-5-7-13(12)14;1-10(2)12-9-8-11(3)13-6-4-5-7-14(12)13;1-10(2)14-11(3)8-9-12-6-4-5-7-13(12)14;1-10(2)12-9-5-7-11-6-3-4-8-13(11)12/h6*5-10H,1-4H3;7*4-10H,1-3H3;3-10H,1-2H3.
What are the key properties of 1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene?
1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene has a molecular weight of 2650.08 g/mol, XLogP of 61.34, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-propan-2-ylnaphthalene;1,2-dimethyl-8-propan-2-ylnaphthalene;1,3-dimethyl-5-propan-2-ylnaphthalene;1,3-dimethyl-8-propan-2-ylnaphthalene;1,4-dimethyl-5-propan-2-ylnaphthalene;6,7-dimethyl-1-propan-2-ylnaphthalene;1-methyl-4-propan-2-ylnaphthalene;1-methyl-5-propan-2-ylnaphthalene;1-methyl-8-propan-2-ylnaphthalene;2-methyl-1-propan-2-ylnaphthalene;3-methyl-1-propan-2-ylnaphthalene;6-methyl-1-propan-2-ylnaphthalene;7-methyl-1-propan-2-ylnaphthalene;1-propan-2-ylnaphthalene is sourced from PubChem (CID 160586545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 160586545 — identifiers, structure, computed properties (public domain)
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