ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene

C19H32O — CID 155710062

IUPACethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene
SMILESCC.COC1CC(C)CCC1C(C)(C)c1ccccc1
InChIInChI=1S/C17H26O.C2H6/c1-13-10-11-15(16(12-13)18-4)17(2,3)14-8-6-5-7-9-14;1-2/h5-9,13,15-16H,10-12H2,1-4H3;1-2H3
InChIKeyMHOLFDIJRQDCDR-UHFFFAOYSA-N
MW276.46 g/mol
LogP5.44
Rot. Bonds3

About ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene

ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene (PubChem CID 155710062) has the molecular formula C19H32O and a molecular weight of 276.46 g/mol. Its IUPAC name is ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene.

Molecular Properties

Compound Nameethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene
PubChem CID155710062
Molecular FormulaC19H32O
Molecular Weight276.46 g/mol
Exact Mass276.25
IUPAC Nameethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene
SMILESCC.COC1CC(C)CCC1C(C)(C)c1ccccc1
InChIInChI=1S/C17H26O.C2H6/c1-13-10-11-15(16(12-13)18-4)17(2,3)14-8-6-5-7-9-14;1-2/h5-9,13,15-16H,10-12H2,1-4H3;1-2H3
InChIKeyMHOLFDIJRQDCDR-UHFFFAOYSA-N
XLogP5.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.46
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[(5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2,2-dimethylpropanoate
CID 173009492
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-bromoacetate
CID 11121741
2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene
CID 134964067
2-(2,4-dimethylcyclohexyl)propan-2-ylbenzene
CID 134857032
[5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-oxopropanoate
CID 13141742
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-methyl-2-phenylpropanoate
CID 10385014
[(1R,2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] 2-chloro-2-oxoacetate
CID 101408696
(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
[(1S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] propanoate
CID 57243297
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
CID 174940939
2-[(1S,2S,4R)-2-bromo-4-methylcyclohexyl]propan-2-ylbenzene
CID 46737239
2-(2,5-dimethylcyclohexyl)propan-2-ylbenzene
CID 154060563

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene?
The IUPAC name of ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene (CID 155710062) is ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene.
What is the SMILES notation for ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene?
The canonical SMILES for ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene is CC.COC1CC(C)CCC1C(C)(C)c1ccccc1.
What is the InChIKey of ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene?
The InChIKey is MHOLFDIJRQDCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O.C2H6/c1-13-10-11-15(16(12-13)18-4)17(2,3)14-8-6-5-7-9-14;1-2/h5-9,13,15-16H,10-12H2,1-4H3;1-2H3.
What are the key properties of ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene?
ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene has a molecular weight of 276.46 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methoxy-4-methylcyclohexyl)propan-2-ylbenzene is sourced from PubChem (CID 155710062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).