[3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate

C15H16O5 — CID 70288635

IUPAC[3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate
SMILESCCOCOc1cc2ccccc2cc1OC(=O)OC
InChIInChI=1S/C15H16O5/c1-3-18-10-19-13-8-11-6-4-5-7-12(11)9-14(13)20-15(16)17-2/h4-9H,3,10H2,1-2H3
InChIKeyWJNNJFAUCYYONR-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.36
Rot. Bonds5

About [3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate

[3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate (PubChem CID 70288635) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is [3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate.

Molecular Properties

Compound Name[3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate
PubChem CID70288635
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name[3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate
SMILESCCOCOc1cc2ccccc2cc1OC(=O)OC
InChIInChI=1S/C15H16O5/c1-3-18-10-19-13-8-11-6-4-5-7-12(11)9-14(13)20-15(16)17-2/h4-9H,3,10H2,1-2H3
InChIKeyWJNNJFAUCYYONR-UHFFFAOYSA-N
XLogP3.36
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

[3-(methoxymethoxy)naphthalen-2-yl] methyl carbonate
CID 70288706
[2-(methoxymethoxy)phenyl] methyl carbonate
CID 129163810
(2-ethylphenyl) methyl carbonate
CID 67179071
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
methyl [3,6,7,10,11-pentakis(methoxycarbonyloxy)triphenylen-2-yl] carbonate
CID 20661198
methyl (2S)-2-[(3-aminonaphthalene-2-carbonyl)amino]-3-ethoxypropanoate
CID 69431961
diphenyl carbonate;ethoxyethane
CID 67230205
(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate
CID 24505759
methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate
CID 18093375
dimethyl carbonate;methyl phenyl carbonate
CID 70311897
ethane;methyl phenyl carbonate
CID 91113838
[(2S,3R)-3-[3,4-bis(ethoxymethoxy)phenyl]oxiran-2-yl]-[2,4,6-tris(ethoxymethoxy)phenyl]methanone
CID 95709950

Frequently Asked Questions

What is the IUPAC name of [3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate?
The IUPAC name of [3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate (CID 70288635) is [3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate.
What is the SMILES notation for [3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate?
The canonical SMILES for [3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate is CCOCOc1cc2ccccc2cc1OC(=O)OC.
What is the InChIKey of [3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate?
The InChIKey is WJNNJFAUCYYONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O5/c1-3-18-10-19-13-8-11-6-4-5-7-12(11)9-14(13)20-15(16)17-2/h4-9H,3,10H2,1-2H3.
What are the key properties of [3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate?
[3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate has a molecular weight of 276.29 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethoxymethoxy)naphthalen-2-yl] methyl carbonate is sourced from PubChem (CID 70288635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).