2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate

C20H24O5 — CID 23531659

IUPAC2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate
SMILESCCC(C)C(=O)OCCOCCOC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H24O5/c1-3-15(2)19(21)24-12-10-23-11-13-25-20(22)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyGANLIRDPLWFUSW-UHFFFAOYSA-N
MW344.41 g/mol
LogP3.60
Rot. Bonds9

About 2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate

2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate (PubChem CID 23531659) has the molecular formula C20H24O5 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate.

Molecular Properties

Compound Name2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate
PubChem CID23531659
Molecular FormulaC20H24O5
Molecular Weight344.41 g/mol
Exact Mass344.16
IUPAC Name2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate
SMILESCCC(C)C(=O)OCCOCCOC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C20H24O5/c1-3-15(2)19(21)24-12-10-23-11-13-25-20(22)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15H,3,10-13H2,1-2H3
InChIKeyGANLIRDPLWFUSW-UHFFFAOYSA-N
XLogP3.60
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-propoxyethyl anthracene-2-carboxylate
CID 86199695
2-methylbutan-1-ol;2-methylbutyl naphthalene-2-carboxylate;propyl 2-methylbutanoate
CID 54391249
2-methylbutyl naphthalene-2-carboxylate
CID 21339899
2-(tridecoxymethoxy)ethyl anthracene-2-carboxylate
CID 122413814
2-propylpentyl naphthalene-2-carboxylate
CID 146351385
2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
CID 143968517
2-[2-(1-aminopropoxy)ethoxy]ethyl benzoate
CID 146533433
4-[4-[4-[2-[2-[2-(2-methylbutanoyloxy)ethoxy]ethoxy]ethoxy]benzoyl]oxybenzoyl]oxybenzoic acid
CID 171460630
ethane;methyl naphthalene-2-carboxylate
CID 143895262
2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
CID 67965026
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-(N-methylanilino)ethyl naphthalene-2-carboxylate
CID 70658913

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate?
The IUPAC name of 2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate (CID 23531659) is 2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate.
What is the SMILES notation for 2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate?
The canonical SMILES for 2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate is CCC(C)C(=O)OCCOCCOC(=O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate?
The InChIKey is GANLIRDPLWFUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24O5/c1-3-15(2)19(21)24-12-10-23-11-13-25-20(22)18-9-8-16-6-4-5-7-17(16)14-18/h4-9,14-15H,3,10-13H2,1-2H3.
What are the key properties of 2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate?
2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate has a molecular weight of 344.41 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate is sourced from PubChem (CID 23531659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).