2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate

C16H20O4 — CID 582618

IUPAC2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate
SMILESCC(=O)OCCC1c2ccccc2CCC12OCCO2
InChIInChI=1S/C16H20O4/c1-12(17)18-9-7-15-14-5-3-2-4-13(14)6-8-16(15)19-10-11-20-16/h2-5,15H,6-11H2,1H3
InChIKeyVOZBYQOWPIEZBH-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.41
Rot. Bonds3

About 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate

2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate (PubChem CID 582618) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate.

Molecular Properties

Compound Name2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate
PubChem CID582618
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Name2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate
SMILESCC(=O)OCCC1c2ccccc2CCC12OCCO2
InChIInChI=1S/C16H20O4/c1-12(17)18-9-7-15-14-5-3-2-4-13(14)6-8-16(15)19-10-11-20-16/h2-5,15H,6-11H2,1H3
InChIKeyVOZBYQOWPIEZBH-UHFFFAOYSA-N
XLogP2.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate?
The IUPAC name of 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate (CID 582618) is 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate.
What is the SMILES notation for 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate?
The canonical SMILES for 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate is CC(=O)OCCC1c2ccccc2CCC12OCCO2.
What is the InChIKey of 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate?
The InChIKey is VOZBYQOWPIEZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-12(17)18-9-7-15-14-5-3-2-4-13(14)6-8-16(15)19-10-11-20-16/h2-5,15H,6-11H2,1H3.
What are the key properties of 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate?
2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate has a molecular weight of 276.33 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylethyl acetate is sourced from PubChem (CID 582618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).