1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene

C20H26 — CID 123270650

IUPAC1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene
SMILESCc1ccc2c(C)ccc(CC3CCC(C)CC3)c2c1
InChIInChI=1S/C20H26/c1-14-4-8-17(9-5-14)13-18-10-7-16(3)19-11-6-15(2)12-20(18)19/h6-7,10-12,14,17H,4-5,8-9,13H2,1-3H3
InChIKeyJSZLGLGTCPMKNH-UHFFFAOYSA-N
MW266.43 g/mol
LogP5.83
Rot. Bonds2

About 1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene

1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene (PubChem CID 123270650) has the molecular formula C20H26 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene.

Molecular Properties

Compound Name1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene
PubChem CID123270650
Molecular FormulaC20H26
Molecular Weight266.43 g/mol
Exact Mass266.20
IUPAC Name1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene
SMILESCc1ccc2c(C)ccc(CC3CCC(C)CC3)c2c1
InChIInChI=1S/C20H26/c1-14-4-8-17(9-5-14)13-18-10-7-16(3)19-11-6-15(2)12-20(18)19/h6-7,10-12,14,17H,4-5,8-9,13H2,1-3H3
InChIKeyJSZLGLGTCPMKNH-UHFFFAOYSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.43
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(cyclopropylmethyl)-2,4-dimethylbenzene
CID 156717993
1-[[2,3-difluoro-4-[(4-methylcyclohexyl)methyl]phenyl]methyl]-2,3-difluoro-4-methylbenzene
CID 134273621
4-[(2,5-dimethylphenyl)methyl]cyclohexan-1-ol
CID 116928416
2,3-difluoro-1-methyl-4-[[4-[(4-methylcyclohexyl)methyl]cyclohexyl]methyl]benzene;methane
CID 158762023
CID 161186786
CID 161186786
1,3-dimethyl-5-[(4-methylcyclohexyl)methyl]-2-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 21359772
2-[(2,4-dimethylphenyl)methyl]-5-methylpiperidine
CID 81318671
1,8-difluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1,8-difluoro-2,7-dimethylphenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]-9,10-dihydrophenanthrene;1,8-difluoro-2-methyl-7-[(4-methylcyclohexyl)methyl]phenanthrene;1-fluoro-2,7-dimethyl-9,10-dihydrophenanthrene;1-fluoro-2,7-dimethylphenanthrene;molecular hydrogen
CID 160546763
1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylbenzene);methane
CID 161294963
bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylbenzene);1,4-xylene
CID 159175057
1,2,4,5-tetramethyl-3-[(4-methylcyclohexyl)methyl]benzene
CID 58224470
1-methyl-3-[[4-(4-methylcyclohexyl)cyclohexyl]methyl]benzene
CID 158679875

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene?
The IUPAC name of 1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene (CID 123270650) is 1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene.
What is the SMILES notation for 1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene?
The canonical SMILES for 1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene is Cc1ccc2c(C)ccc(CC3CCC(C)CC3)c2c1.
What is the InChIKey of 1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene?
The InChIKey is JSZLGLGTCPMKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26/c1-14-4-8-17(9-5-14)13-18-10-7-16(3)19-11-6-15(2)12-20(18)19/h6-7,10-12,14,17H,4-5,8-9,13H2,1-3H3.
What are the key properties of 1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene?
1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene has a molecular weight of 266.43 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-[(4-methylcyclohexyl)methyl]naphthalene is sourced from PubChem (CID 123270650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).