ethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate

C26H36O3 — CID 157482882

IUPACethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate
SMILESCCOC(=O)CCCc1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2c1
InChIInChI=1S/C26H36O3/c1-5-28-25(27)8-6-7-19-9-10-21-18-24(14-11-20(21)17-19)29-23-15-12-22(13-16-23)26(2,3)4/h9-11,14,17-18,22-23H,5-8,12-13,15-16H2,1-4H3
InChIKeyHPPKQNUHNOUOSE-UHFFFAOYSA-N
MW396.57 g/mol
LogP6.71
Rot. Bonds7

About ethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate

ethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate (PubChem CID 157482882) has the molecular formula C26H36O3 and a molecular weight of 396.57 g/mol. Its IUPAC name is ethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate
PubChem CID157482882
Molecular FormulaC26H36O3
Molecular Weight396.57 g/mol
Exact Mass396.27
IUPAC Nameethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate
SMILESCCOC(=O)CCCc1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2c1
InChIInChI=1S/C26H36O3/c1-5-28-25(27)8-6-7-19-9-10-21-18-24(14-11-20(21)17-19)29-23-15-12-22(13-16-23)26(2,3)4/h9-11,14,17-18,22-23H,5-8,12-13,15-16H2,1-4H3
InChIKeyHPPKQNUHNOUOSE-UHFFFAOYSA-N
XLogP6.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.57
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]piperidine-3-carboxylate
CID 66926766
1-[2-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]ethyl]pyrrolidine-3-carboxylic acid
CID 70496927
6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate
CID 158248181
3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl-propylamino]propanoic acid;methyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl-propylamino]propanoate
CID 160732976
N-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]-2-diethoxyphosphorylethanamine
CID 86668415
propyl 1-[[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]methyl]cyclopropane-1-carboxylate
CID 130356385
2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]ethylphosphonic acid
CID 51002113
ethyl 4-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2-hydroxybicyclo[2.2.2]octane-1-carboxylate
CID 90051405
3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]hexanoic acid
CID 66926337
2-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]acetonitrile
CID 86668419
[1-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methyl]-4-ethylpiperidin-4-yl] hydrogen carbonate
CID 122471514
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate?
The IUPAC name of ethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate (CID 157482882) is ethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate.
What is the SMILES notation for ethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate?
The canonical SMILES for ethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate is CCOC(=O)CCCc1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2c1.
What is the InChIKey of ethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate?
The InChIKey is HPPKQNUHNOUOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36O3/c1-5-28-25(27)8-6-7-19-9-10-21-18-24(14-11-20(21)17-19)29-23-15-12-22(13-16-23)26(2,3)4/h9-11,14,17-18,22-23H,5-8,12-13,15-16H2,1-4H3.
What are the key properties of ethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate?
ethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate has a molecular weight of 396.57 g/mol, XLogP of 6.71, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]butanoate is sourced from PubChem (CID 157482882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).