1,2,4,6,8-pentamethylnaphthalene

C15H18 — CID 59866689

IUPAC1,2,4,6,8-pentamethylnaphthalene
SMILESCc1cc(C)c2c(C)c(C)cc(C)c2c1
InChIInChI=1S/C15H18/c1-9-6-12(4)15-13(5)10(2)8-11(3)14(15)7-9/h6-8H,1-5H3
InChIKeyHQZZHXHPJYZKNV-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.38
Rot. Bonds

About 1,2,4,6,8-pentamethylnaphthalene

1,2,4,6,8-pentamethylnaphthalene (PubChem CID 59866689) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1,2,4,6,8-pentamethylnaphthalene.

Molecular Properties

Compound Name1,2,4,6,8-pentamethylnaphthalene
PubChem CID59866689
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1,2,4,6,8-pentamethylnaphthalene
SMILESCc1cc(C)c2c(C)c(C)cc(C)c2c1
InChIInChI=1S/C15H18/c1-9-6-12(4)15-13(5)10(2)8-11(3)14(15)7-9/h6-8H,1-5H3
InChIKeyHQZZHXHPJYZKNV-UHFFFAOYSA-N
XLogP4.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 91028901
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1,2,4,6-tetramethylnaphthalene
CID 54387778
2,3,4,5,7-pentamethylnaphthalene-1-sulfinic acid
CID 57481919
1,2,3,4-tetramethylbenzene;bis(1,2,3,5-tetramethylbenzene)
CID 158514008
ethane;2-methoxy-1,3,5-trimethylbenzene
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3-hydroperoxy-1,2,4,5-tetramethylbenzene
CID 88709611
1,5,7,8-tetramethylisoquinoline
CID 163662855
1,3,10-trimethylphenanthrene
CID 12996190
3,4,6-trimethyl-1-benzothiophene
CID 20824554
10-tert-butyl-1,3,6,8-tetramethylanthracene
CID 59821346
1,3,4-trimethylphenanthrene
CID 53421592

Frequently Asked Questions

What is the IUPAC name of 1,2,4,6,8-pentamethylnaphthalene?
The IUPAC name of 1,2,4,6,8-pentamethylnaphthalene (CID 59866689) is 1,2,4,6,8-pentamethylnaphthalene.
What is the SMILES notation for 1,2,4,6,8-pentamethylnaphthalene?
The canonical SMILES for 1,2,4,6,8-pentamethylnaphthalene is Cc1cc(C)c2c(C)c(C)cc(C)c2c1.
What is the InChIKey of 1,2,4,6,8-pentamethylnaphthalene?
The InChIKey is HQZZHXHPJYZKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-9-6-12(4)15-13(5)10(2)8-11(3)14(15)7-9/h6-8H,1-5H3.
What are the key properties of 1,2,4,6,8-pentamethylnaphthalene?
1,2,4,6,8-pentamethylnaphthalene has a molecular weight of 198.31 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,6,8-pentamethylnaphthalene is sourced from PubChem (CID 59866689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).