2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate

C21H28O4 — CID 148869293

IUPAC2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate
SMILESCC(C)(C)CCC(=O)OCCOCCOc1ccc2ccccc2c1
InChIInChI=1S/C21H28O4/c1-21(2,3)11-10-20(22)25-15-13-23-12-14-24-19-9-8-17-6-4-5-7-18(17)16-19/h4-9,16H,10-15H2,1-3H3
InChIKeyPAVUFZUXCBFEQV-UHFFFAOYSA-N
MW344.45 g/mol
LogP4.60
Rot. Bonds9

About 2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate

2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate (PubChem CID 148869293) has the molecular formula C21H28O4 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate.

Molecular Properties

Compound Name2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate
PubChem CID148869293
Molecular FormulaC21H28O4
Molecular Weight344.45 g/mol
Exact Mass344.20
IUPAC Name2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate
SMILESCC(C)(C)CCC(=O)OCCOCCOc1ccc2ccccc2c1
InChIInChI=1S/C21H28O4/c1-21(2,3)11-10-20(22)25-15-13-23-12-14-24-19-9-8-17-6-4-5-7-18(17)16-19/h4-9,16H,10-15H2,1-3H3
InChIKeyPAVUFZUXCBFEQV-UHFFFAOYSA-N
XLogP4.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(4,4-dimethylpentanoyloxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 90137650
2,2-dimethyl-4-naphthalen-2-yloxybutanoic acid
CID 65248421
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4,4-dimethylpentanoate
CID 58409057
2-methyl-4-naphthalen-2-yloxybutan-2-amine
CID 10561404
ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate
CID 4158444
[2-hydroxy-3-(2-naphthalen-2-yloxyethoxy)propyl] 2,2-dimethylbutanoate
CID 155607334
2-hydroxyethyl 2-naphthalen-2-yloxyacetate
CID 21297754
2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide
CID 65259756
2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
CID 143968517
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[3-[3-[3-[3-[3-[3-[3-[3-(3-naphthalen-2-yloxypropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 23534221
2-bromoethyl 2-naphthalen-2-yloxyacetate
CID 22163309
2-phenanthren-2-yloxyethyl 2-methylpropanoate
CID 130451688

Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate?
The IUPAC name of 2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate (CID 148869293) is 2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate.
What is the SMILES notation for 2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate?
The canonical SMILES for 2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate is CC(C)(C)CCC(=O)OCCOCCOc1ccc2ccccc2c1.
What is the InChIKey of 2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate?
The InChIKey is PAVUFZUXCBFEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O4/c1-21(2,3)11-10-20(22)25-15-13-23-12-14-24-19-9-8-17-6-4-5-7-18(17)16-19/h4-9,16H,10-15H2,1-3H3.
What are the key properties of 2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate?
2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate has a molecular weight of 344.45 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-2-yloxyethoxy)ethyl 4,4-dimethylpentanoate is sourced from PubChem (CID 148869293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).