2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate

C17H22O3 — CID 90295885

IUPAC2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCOC1C=c2ccccc2=CC1
InChIInChI=1S/C17H22O3/c1-3-13(2)17(18)20-11-10-19-16-9-8-14-6-4-5-7-15(14)12-16/h4-8,12-13,16H,3,9-11H2,1-2H3
InChIKeyFKZZNBOIGCKZIA-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.63
Rot. Bonds6

About 2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate

2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate (PubChem CID 90295885) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate.

Molecular Properties

Compound Name2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate
PubChem CID90295885
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCOC1C=c2ccccc2=CC1
InChIInChI=1S/C17H22O3/c1-3-13(2)17(18)20-11-10-19-16-9-8-14-6-4-5-7-15(14)12-16/h4-8,12-13,16H,3,9-11H2,1-2H3
InChIKeyFKZZNBOIGCKZIA-UHFFFAOYSA-N
XLogP1.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate?
The IUPAC name of 2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate (CID 90295885) is 2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate.
What is the SMILES notation for 2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate?
The canonical SMILES for 2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate is CCC(C)C(=O)OCCOC1C=c2ccccc2=CC1.
What is the InChIKey of 2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate?
The InChIKey is FKZZNBOIGCKZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-3-13(2)17(18)20-11-10-19-16-9-8-14-6-4-5-7-15(14)12-16/h4-8,12-13,16H,3,9-11H2,1-2H3.
What are the key properties of 2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate?
2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate has a molecular weight of 274.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydronaphthalen-2-yloxy)ethyl 2-methylbutanoate is sourced from PubChem (CID 90295885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).