1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene

C42H56 — CID 158290232

IUPAC1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1cc2c(c(C)c1C)CC(C)CC2.Cc1cc2ccc(C)c(C)c2c(C)c1C.Cc1ccc2c(c1C)CCC(C)C2
InChIInChI=1S/C15H18.C14H20.C13H18/c1-9-6-7-14-8-10(2)11(3)13(5)15(14)12(9)4;1-9-5-6-13-8-10(2)11(3)12(4)14(13)7-9;1-9-4-7-13-11(3)10(2)5-6-12(13)8-9/h6-8H,1-5H3;8-9H,5-7H2,1-4H3;5-6,9H,4,7-8H2,1-3H3
InChIKeyGLGJTTXKOXFOPF-UHFFFAOYSA-N
MW560.91 g/mol
LogP11.55
Rot. Bonds

About 1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene

1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 158290232) has the molecular formula C42H56 and a molecular weight of 560.91 g/mol. Its IUPAC name is 1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID158290232
Molecular FormulaC42H56
Molecular Weight560.91 g/mol
Exact Mass560.44
IUPAC Name1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene
SMILESCc1cc2c(c(C)c1C)CC(C)CC2.Cc1cc2ccc(C)c(C)c2c(C)c1C.Cc1ccc2c(c1C)CCC(C)C2
InChIInChI=1S/C15H18.C14H20.C13H18/c1-9-6-7-14-8-10(2)11(3)13(5)15(14)12(9)4;1-9-5-6-13-8-10(2)11(3)12(4)14(13)7-9;1-9-4-7-13-11(3)10(2)5-6-12(13)8-9/h6-8H,1-5H3;8-9H,5-7H2,1-4H3;5-6,9H,4,7-8H2,1-3H3
InChIKeyGLGJTTXKOXFOPF-UHFFFAOYSA-N
XLogP11.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.91
LogP ≤ 511.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene with MolForge

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Related Compounds

1,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 130033796
6-fluoro-2,7-dimethyl-1,2,3,4-tetrahydrophenanthrene
CID 21032941
(2R)-7,8-difluoro-2,6-dimethyl-1,2,3,4-tetrahydronaphthalene
CID 146513839
2,5,6,7,8-pentamethyl-1,2,3,4-tetrahydronaphthalene
CID 22888683
2-[(2R)-5,6-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol
CID 15601435
2,7-dimethyl-1,2,3,4-tetrahydronaphthalene;ethane
CID 145046662
(4aS,9aR)-5,6,7-trimethyl-1,2,3,4,4a,9,9a,10-octahydroanthracene
CID 162292793
3,4-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 91587374
ethane;1-(2-methylpropyl)-3-prop-1-en-2-ylbenzene;prop-1-ene;prop-1-en-2-ylcyclohexane;2,7,8-trimethyl-1,2,3,4-tetrahydronaphthalene
CID 155697561
3,7-dimethyl-5,6,7,8-tetrahydroisochromen-1-one
CID 122378222
ethane;2-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 143482609
2-methyl-1,2,3,4-tetrahydrotetracene
CID 19962649

Frequently Asked Questions

What is the IUPAC name of 1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene (CID 158290232) is 1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene is Cc1cc2c(c(C)c1C)CC(C)CC2.Cc1cc2ccc(C)c(C)c2c(C)c1C.Cc1ccc2c(c1C)CCC(C)C2.
What is the InChIKey of 1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is GLGJTTXKOXFOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18.C14H20.C13H18/c1-9-6-7-14-8-10(2)11(3)13(5)15(14)12(9)4;1-9-5-6-13-8-10(2)11(3)12(4)14(13)7-9;1-9-4-7-13-11(3)10(2)5-6-12(13)8-9/h6-8H,1-5H3;8-9H,5-7H2,1-4H3;5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene?
1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 560.91 g/mol, XLogP of 11.55, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,7,8-pentamethylnaphthalene;2,6,7,8-tetramethyl-1,2,3,4-tetrahydronaphthalene;2,5,6-trimethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 158290232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).