2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane

C21H32O — CID 143210127

IUPAC2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane
SMILESCc1ccc(CCC2CCC(C3CCC(C)CC3)OC2)cc1
InChIInChI=1S/C21H32O/c1-16-3-7-18(8-4-16)9-10-19-11-14-21(22-15-19)20-12-5-17(2)6-13-20/h3-4,7-8,17,19-21H,5-6,9-15H2,1-2H3
InChIKeyILHPDVPMOZHRJH-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.55
Rot. Bonds4

About 2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane

2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane (PubChem CID 143210127) has the molecular formula C21H32O and a molecular weight of 300.49 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane
PubChem CID143210127
Molecular FormulaC21H32O
Molecular Weight300.49 g/mol
Exact Mass300.25
IUPAC Name2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane
SMILESCc1ccc(CCC2CCC(C3CCC(C)CC3)OC2)cc1
InChIInChI=1S/C21H32O/c1-16-3-7-18(8-4-16)9-10-19-11-14-21(22-15-19)20-12-5-17(2)6-13-20/h3-4,7-8,17,19-21H,5-6,9-15H2,1-2H3
InChIKeyILHPDVPMOZHRJH-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]benzene
CID 21136661
1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;molecular hydrogen
CID 159699937
ethane;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1-methyl-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]cyclohexane
CID 54345926
[4-[2-[4-(5-propyloxan-2-yl)cyclohexyl]ethyl]phenyl]methanol
CID 70829402
(4-methylphenyl) 4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzoate
CID 59938822
2-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]-1,3-dioxolane
CID 67980841
1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-phenylbenzene;yttrium
CID 59931239
3-[4-[4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]phenyl]phenyl]propan-1-ol
CID 21265168
CID 20632303
CID 20632303
3-[2-(4-methylphenyl)ethyl]-6-oxabicyclo[3.1.1]heptane
CID 177054467
4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzonitrile
CID 22886911
5-methyl-2-[4-[(4-methylphenyl)methyl]cyclohexyl]-1,3-dioxane
CID 54361723

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane?
The IUPAC name of 2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane (CID 143210127) is 2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane.
What is the SMILES notation for 2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane?
The canonical SMILES for 2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane is Cc1ccc(CCC2CCC(C3CCC(C)CC3)OC2)cc1.
What is the InChIKey of 2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane?
The InChIKey is ILHPDVPMOZHRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32O/c1-16-3-7-18(8-4-16)9-10-19-11-14-21(22-15-19)20-12-5-17(2)6-13-20/h3-4,7-8,17,19-21H,5-6,9-15H2,1-2H3.
What are the key properties of 2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane?
2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane has a molecular weight of 300.49 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-5-[2-(4-methylphenyl)ethyl]oxane is sourced from PubChem (CID 143210127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).