[acetyloxy(methoxy)methyl] acetate;naphthalene

C16H18O5 — CID 67737886

IUPAC[acetyloxy(methoxy)methyl] acetate;naphthalene
SMILESCOC(OC(C)=O)OC(C)=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C6H10O5/c1-2-6-10-8-4-3-7-9(10)5-1;1-4(7)10-6(9-3)11-5(2)8/h1-8H;6H,1-3H3
InChIKeyFBQWEJMBCHBXDC-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.88
Rot. Bonds3

About [acetyloxy(methoxy)methyl] acetate;naphthalene

[acetyloxy(methoxy)methyl] acetate;naphthalene (PubChem CID 67737886) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is [acetyloxy(methoxy)methyl] acetate;naphthalene.

Molecular Properties

Compound Name[acetyloxy(methoxy)methyl] acetate;naphthalene
PubChem CID67737886
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Name[acetyloxy(methoxy)methyl] acetate;naphthalene
SMILESCOC(OC(C)=O)OC(C)=O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C6H10O5/c1-2-6-10-8-4-3-7-9(10)5-1;1-4(7)10-6(9-3)11-5(2)8/h1-8H;6H,1-3H3
InChIKeyFBQWEJMBCHBXDC-UHFFFAOYSA-N
XLogP2.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [acetyloxy(methoxy)methyl] acetate;naphthalene?
The IUPAC name of [acetyloxy(methoxy)methyl] acetate;naphthalene (CID 67737886) is [acetyloxy(methoxy)methyl] acetate;naphthalene.
What is the SMILES notation for [acetyloxy(methoxy)methyl] acetate;naphthalene?
The canonical SMILES for [acetyloxy(methoxy)methyl] acetate;naphthalene is COC(OC(C)=O)OC(C)=O.c1ccc2ccccc2c1.
What is the InChIKey of [acetyloxy(methoxy)methyl] acetate;naphthalene?
The InChIKey is FBQWEJMBCHBXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C6H10O5/c1-2-6-10-8-4-3-7-9(10)5-1;1-4(7)10-6(9-3)11-5(2)8/h1-8H;6H,1-3H3.
What are the key properties of [acetyloxy(methoxy)methyl] acetate;naphthalene?
[acetyloxy(methoxy)methyl] acetate;naphthalene has a molecular weight of 290.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [acetyloxy(methoxy)methyl] acetate;naphthalene is sourced from PubChem (CID 67737886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).