2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate

C22H30O3 — CID 123246301

IUPAC2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate
SMILESCC1C=c2ccc(OCC(=O)OC(C)(C)C3CCCCC3)cc2=CC1
InChIInChI=1S/C22H30O3/c1-16-9-10-18-14-20(12-11-17(18)13-16)24-15-21(23)25-22(2,3)19-7-5-4-6-8-19/h10-14,16,19H,4-9,15H2,1-3H3
InChIKeyHJIPGFLBUUPSLI-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.57
Rot. Bonds5

About 2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate

2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate (PubChem CID 123246301) has the molecular formula C22H30O3 and a molecular weight of 342.48 g/mol. Its IUPAC name is 2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate.

Molecular Properties

Compound Name2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate
PubChem CID123246301
Molecular FormulaC22H30O3
Molecular Weight342.48 g/mol
Exact Mass342.22
IUPAC Name2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate
SMILESCC1C=c2ccc(OCC(=O)OC(C)(C)C3CCCCC3)cc2=CC1
InChIInChI=1S/C22H30O3/c1-16-9-10-18-14-20(12-11-17(18)13-16)24-15-21(23)25-22(2,3)19-7-5-4-6-8-19/h10-14,16,19H,4-9,15H2,1-3H3
InChIKeyHJIPGFLBUUPSLI-UHFFFAOYSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(1R,2R,4aS,8aR)-2-methyl-1,2,4a,5,6,7,8,8a-octahydronaphthalen-1-yl]-3-(dideuteriomethyl)-4-methoxypyran-2-one
CID 10517626
(1-ethylcyclohexyl) 2-[(2Z)-3,4-dimethylhepta-2,6-dienoxy]acetate
CID 89058651
2-[[(2S)-2,5,7,8-tetramethyl-2-[(E)-non-1-enyl]-3,4,4a,5-tetrahydrochromen-6-yl]oxy]acetic acid
CID 89795981
2-Cyclohexylpropan-2-yl 2-[[6-(3,3,6,6-tetramethyloctan-4-yl)-6,7-dihydronaphthalen-2-yl]oxy]acetate
CID 123166697
2-Cyclohexylpropan-2-yl 2-[3-(3,3-dimethylpentan-2-yl)cyclohexa-1,5-dien-1-yl]oxyacetate
CID 123258371
2-Cyclohexylpropan-2-yl 2-[[6-(2,2,5,5-tetramethylhexan-3-yl)-6,7,8,8a-tetrahydronaphthalen-2-yl]oxy]acetate
CID 123298153
(1-Ethylcyclohexyl) 2-[4-(3,3,6,6-tetramethyloctan-4-yl)cyclohexa-1,5-dien-1-yl]oxyacetate
CID 123308683
2-Cyclohexylpropan-2-yl 2-[[6-(3,3,6,6-tetramethyloctan-4-yl)-8,8a-dihydronaphthalen-2-yl]oxy]acetate
CID 123331568
2-Cyclohexylpropan-2-yl 2-[11,11-dimethyl-9-(2-methylbutan-2-yl)trideca-4,6-dien-6-yl]oxyacetate
CID 123374111
Heptyl 2-[3-(2,2,5,5-tetramethylhexan-3-yl)cyclohexa-1,5-dien-1-yl]oxyacetate
CID 123400369
2-(1-Adamantyl)propan-2-yl 2-[4-(2,2,5,5-tetramethylheptan-3-yl)cyclohexa-1,5-dien-1-yl]oxyacetate
CID 123437897
2-Cyclohexylpropan-2-yl 2-[[6-(3,3-dimethylpentan-2-yl)-8,8a-dihydronaphthalen-2-yl]oxy]acetate
CID 123714540

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate?
The IUPAC name of 2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate (CID 123246301) is 2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate.
What is the SMILES notation for 2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate?
The canonical SMILES for 2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate is CC1C=c2ccc(OCC(=O)OC(C)(C)C3CCCCC3)cc2=CC1.
What is the InChIKey of 2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate?
The InChIKey is HJIPGFLBUUPSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O3/c1-16-9-10-18-14-20(12-11-17(18)13-16)24-15-21(23)25-22(2,3)19-7-5-4-6-8-19/h10-14,16,19H,4-9,15H2,1-3H3.
What are the key properties of 2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate?
2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate has a molecular weight of 342.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylpropan-2-yl 2-[(6-methyl-6,7-dihydronaphthalen-2-yl)oxy]acetate is sourced from PubChem (CID 123246301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).