2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate

C19H20O6 — CID 175695280

IUPAC2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate
SMILESCOC(=O)C(=O)OCc1ccc2cc(OC(=O)C(C)(C)C)ccc2c1
InChIInChI=1S/C19H20O6/c1-19(2,3)18(22)25-15-8-7-13-9-12(5-6-14(13)10-15)11-24-17(21)16(20)23-4/h5-10H,11H2,1-4H3
InChIKeyDREBBHSJPBODMG-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.01
Rot. Bonds3

About 2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate

2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate (PubChem CID 175695280) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate.

Molecular Properties

Compound Name2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate
PubChem CID175695280
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate
SMILESCOC(=O)C(=O)OCc1ccc2cc(OC(=O)C(C)(C)C)ccc2c1
InChIInChI=1S/C19H20O6/c1-19(2,3)18(22)25-15-8-7-13-9-12(5-6-14(13)10-15)11-24-17(21)16(20)23-4/h5-10H,11H2,1-4H3
InChIKeyDREBBHSJPBODMG-UHFFFAOYSA-N
XLogP3.01
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(carbonochloridoyloxymethyl)phenyl] 2,2-dimethylpropanoate
CID 59081476
(6-prop-2-enoyloxynaphthalen-2-yl)methyl 2-methylprop-2-enoate
CID 91028345
[7-[3-(2-methylprop-2-enoyloxy)propyl]phenanthren-2-yl] 2,2-dimethylpropanoate
CID 123815612
[7-(2-methylprop-2-enoyloxy)phenanthren-2-yl]methyl 2-methylprop-2-enoate
CID 88614619
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
(4-amino-3-methylphenyl) 2,2-dimethylpropanoate
CID 19810868
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
[4-(phosphorosooxymethyl)phenyl] 2,2-dimethylpropanoate
CID 118427003
(3-hydroxy-4-methoxyphenyl)methyl 2,2-dimethylpropanoate
CID 10585997
(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
CID 59524611
2,2,2-trifluoro-N-[(6-methoxynaphthalen-2-yl)methoxy]acetamide
CID 19967321
[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 139921074

Frequently Asked Questions

What is the IUPAC name of 2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate?
The IUPAC name of 2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate (CID 175695280) is 2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate.
What is the SMILES notation for 2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate?
The canonical SMILES for 2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate is COC(=O)C(=O)OCc1ccc2cc(OC(=O)C(C)(C)C)ccc2c1.
What is the InChIKey of 2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate?
The InChIKey is DREBBHSJPBODMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O6/c1-19(2,3)18(22)25-15-8-7-13-9-12(5-6-14(13)10-15)11-24-17(21)16(20)23-4/h5-10H,11H2,1-4H3.
What are the key properties of 2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate?
2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate has a molecular weight of 344.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-[[6-(2,2-dimethylpropanoyloxy)naphthalen-2-yl]methyl] 1-O-methyl oxalate is sourced from PubChem (CID 175695280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).