methyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate

C16H16O4 — CID 22895778

IUPACmethyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate
SMILESC=COC(C)Oc1ccc2c(C(=O)OC)cccc2c1
InChIInChI=1S/C16H16O4/c1-4-19-11(2)20-13-8-9-14-12(10-13)6-5-7-15(14)16(17)18-3/h4-11H,1H2,2-3H3
InChIKeyICXCXLIZYFIYGL-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.51
Rot. Bonds5

About methyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate

methyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate (PubChem CID 22895778) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is methyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate
PubChem CID22895778
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Namemethyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate
SMILESC=COC(C)Oc1ccc2c(C(=O)OC)cccc2c1
InChIInChI=1S/C16H16O4/c1-4-19-11(2)20-13-8-9-14-12(10-13)6-5-7-15(14)16(17)18-3/h4-11H,1H2,2-3H3
InChIKeyICXCXLIZYFIYGL-UHFFFAOYSA-N
XLogP3.51
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-methoxycarbonyloxynaphthalene-1-carboxylate
CID 22895779
methyl 6-sulfanyloxynaphthalene-1-carboxylate
CID 143499050
dimethyl naphthalene-1,6-dicarboxylate
CID 11459190
methyl 6-formamidonaphthalene-1-carboxylate
CID 168651733
methyl 6-carbamoylnaphthalene-1-carboxylate
CID 162353459
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 3-hydroxy-2-propan-2-yloxybenzoate
CID 69409235
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 5-(propan-2-ylcarbamoyl)naphthalene-2-carboxylate
CID 163232995
methyl 6-(2,3-dihydroxypropylamino)naphthalene-1-carboxylate
CID 168594347
methyl 6-(1,3-dioxoisoindol-2-yl)naphthalene-1-carboxylate
CID 67632360
methyl 3-amino-2-(3-methylbutan-2-yloxy)benzoate
CID 112579913

Frequently Asked Questions

What is the IUPAC name of methyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate?
The IUPAC name of methyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate (CID 22895778) is methyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate.
What is the SMILES notation for methyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate?
The canonical SMILES for methyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate is C=COC(C)Oc1ccc2c(C(=O)OC)cccc2c1.
What is the InChIKey of methyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate?
The InChIKey is ICXCXLIZYFIYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-4-19-11(2)20-13-8-9-14-12(10-13)6-5-7-15(14)16(17)18-3/h4-11H,1H2,2-3H3.
What are the key properties of methyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate?
methyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(1-ethenoxyethoxy)naphthalene-1-carboxylate is sourced from PubChem (CID 22895778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).