ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate

C17H24O3 — CID 83038168

IUPACethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
SMILESCCCC(Oc1ccc2c(c1)CCCC2)C(=O)OCC
InChIInChI=1S/C17H24O3/c1-3-7-16(17(18)19-4-2)20-15-11-10-13-8-5-6-9-14(13)12-15/h10-12,16H,3-9H2,1-2H3
InChIKeyXRKOTMCLLNRYQE-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.68
Rot. Bonds6

About ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate

ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate (PubChem CID 83038168) has the molecular formula C17H24O3 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate.

Molecular Properties

Compound Nameethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
PubChem CID83038168
Molecular FormulaC17H24O3
Molecular Weight276.38 g/mol
Exact Mass276.17
IUPAC Nameethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
SMILESCCCC(Oc1ccc2c(c1)CCCC2)C(=O)OCC
InChIInChI=1S/C17H24O3/c1-3-7-16(17(18)19-4-2)20-15-11-10-13-8-5-6-9-14(13)12-15/h10-12,16H,3-9H2,1-2H3
InChIKeyXRKOTMCLLNRYQE-UHFFFAOYSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558239
(2S)-N-[(2S)-pentan-2-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 100558253
ethyl 2-[(7-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]hexanoate;hydrochloride
CID 67822342
ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
CID 83037537
N-pentyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 133186847
1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-ol
CID 62042802
(2S)-N-[(2R)-2-ethylhexyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanamide
CID 100546131
2-(2,3-dihydro-1H-inden-5-yloxy)-4-(methylamino)butanoic acid
CID 112518654
2-ethoxy-4-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butanoic acid
CID 63075394
ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate
CID 83034609
ethyl 2-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]butanoate
CID 64670120
ethyl 2-(2,3-dihydro-1H-inden-5-ylamino)pentanoate
CID 79040702

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate?
The IUPAC name of ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate (CID 83038168) is ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate.
What is the SMILES notation for ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate?
The canonical SMILES for ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate is CCCC(Oc1ccc2c(c1)CCCC2)C(=O)OCC.
What is the InChIKey of ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate?
The InChIKey is XRKOTMCLLNRYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O3/c1-3-7-16(17(18)19-4-2)20-15-11-10-13-8-5-6-9-14(13)12-15/h10-12,16H,3-9H2,1-2H3.
What are the key properties of ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate?
ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate has a molecular weight of 276.38 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate is sourced from PubChem (CID 83038168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).