2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate

C34H38O10 — CID 143968517

IUPAC2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
SMILESCOCCOCCOC(=O)c1ccc2cc(OCCOc3ccc4cc(C(=O)OCCOCCOC)ccc4c3)ccc2c1
InChIInChI=1S/C34H38O10/c1-37-11-13-39-15-17-43-33(35)29-5-3-27-23-31(9-7-25(27)21-29)41-19-20-42-32-10-8-26-22-30(6-4-28(26)24-32)34(36)44-18-16-40-14-12-38-2/h3-10,21-24H,11-20H2,1-2H3
InChIKeyIAYRRMUQJRZSOF-UHFFFAOYSA-N
MW606.67 g/mol
LogP5.09
Rot. Bonds19

About 2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate

2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate (PubChem CID 143968517) has the molecular formula C34H38O10 and a molecular weight of 606.67 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
PubChem CID143968517
Molecular FormulaC34H38O10
Molecular Weight606.67 g/mol
Exact Mass606.25
IUPAC Name2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
SMILESCOCCOCCOC(=O)c1ccc2cc(OCCOc3ccc4cc(C(=O)OCCOCCOC)ccc4c3)ccc2c1
InChIInChI=1S/C34H38O10/c1-37-11-13-39-15-17-43-33(35)29-5-3-27-23-31(9-7-25(27)21-29)41-19-20-42-32-10-8-26-22-30(6-4-28(26)24-32)34(36)44-18-16-40-14-12-38-2/h3-10,21-24H,11-20H2,1-2H3
InChIKeyIAYRRMUQJRZSOF-UHFFFAOYSA-N
XLogP5.09
TPSA107.98 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.67
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(2-methoxyethoxy)naphthalen-2-yl]oxyethyl 4-acetylbenzoate
CID 58800513
2-[2-(4-methoxybenzoyl)oxyethoxy]ethyl 4-methoxybenzoate
CID 154279201
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
2-propoxyethyl anthracene-2-carboxylate
CID 86199695
4-O-[2-(4-bromophenoxy)ethyl] 1-O-methyl benzene-1,4-dicarboxylate
CID 55308187
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl 4-hydroxybenzoate
CID 158057497
6-(2-methoxyethoxymethoxy)-N-methylnaphthalene-2-carboxamide
CID 141090220
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-[1,2,2-tris[4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]ethenyl]benzene
CID 102529965
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-amino-4-fluorobenzoate
CID 104563056
ethyl 4-[3-(2-methoxyethoxy)propoxy]benzoate
CID 103408920
4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]benzoyl chloride
CID 141339492
[4-(2-phenoxyethoxycarbonyl)phenyl] 4-(2-methoxyethoxy)benzoate
CID 17151540

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate (CID 143968517) is 2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate is COCCOCCOC(=O)c1ccc2cc(OCCOc3ccc4cc(C(=O)OCCOCCOC)ccc4c3)ccc2c1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate?
The InChIKey is IAYRRMUQJRZSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O10/c1-37-11-13-39-15-17-43-33(35)29-5-3-27-23-31(9-7-25(27)21-29)41-19-20-42-32-10-8-26-22-30(6-4-28(26)24-32)34(36)44-18-16-40-14-12-38-2/h3-10,21-24H,11-20H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate?
2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate has a molecular weight of 606.67 g/mol, XLogP of 5.09, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate is sourced from PubChem (CID 143968517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).