ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate

C17H24O4 — CID 83040077

IUPACethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate
SMILESCCCC(Oc1cccc2c1CCCC2O)C(=O)OCC
InChIInChI=1S/C17H24O4/c1-3-7-16(17(19)20-4-2)21-15-11-6-8-12-13(15)9-5-10-14(12)18/h6,8,11,14,16,18H,3-5,7,9-10H2,1-2H3
InChIKeyOTSWRKZLKYAGMM-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.17
Rot. Bonds6

About ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate

ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate (PubChem CID 83040077) has the molecular formula C17H24O4 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate.

Molecular Properties

Compound Nameethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate
PubChem CID83040077
Molecular FormulaC17H24O4
Molecular Weight292.38 g/mol
Exact Mass292.17
IUPAC Nameethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate
SMILESCCCC(Oc1cccc2c1CCCC2O)C(=O)OCC
InChIInChI=1S/C17H24O4/c1-3-7-16(17(19)20-4-2)21-15-11-6-8-12-13(15)9-5-10-14(12)18/h6,8,11,14,16,18H,3-5,7,9-10H2,1-2H3
InChIKeyOTSWRKZLKYAGMM-UHFFFAOYSA-N
XLogP3.17
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate?
The IUPAC name of ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate (CID 83040077) is ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate.
What is the SMILES notation for ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate?
The canonical SMILES for ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate is CCCC(Oc1cccc2c1CCCC2O)C(=O)OCC.
What is the InChIKey of ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate?
The InChIKey is OTSWRKZLKYAGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O4/c1-3-7-16(17(19)20-4-2)21-15-11-6-8-12-13(15)9-5-10-14(12)18/h6,8,11,14,16,18H,3-5,7,9-10H2,1-2H3.
What are the key properties of ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate?
ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate has a molecular weight of 292.38 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]pentanoate is sourced from PubChem (CID 83040077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).