ethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate

C16H20O4 — CID 600233

IUPACethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate
SMILESCCOC(=O)CC1c2ccccc2CCC12OCCO2
InChIInChI=1S/C16H20O4/c1-2-18-15(17)11-14-13-6-4-3-5-12(13)7-8-16(14)19-9-10-20-16/h3-6,14H,2,7-11H2,1H3
InChIKeyYATMQFSLXMDKJH-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.41
Rot. Bonds3

About ethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate

ethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate (PubChem CID 600233) has the molecular formula C16H20O4 and a molecular weight of 276.33 g/mol. Its IUPAC name is ethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate.

Molecular Properties

Compound Nameethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate
PubChem CID600233
Molecular FormulaC16H20O4
Molecular Weight276.33 g/mol
Exact Mass276.14
IUPAC Nameethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate
SMILESCCOC(=O)CC1c2ccccc2CCC12OCCO2
InChIInChI=1S/C16H20O4/c1-2-18-15(17)11-14-13-6-4-3-5-12(13)7-8-16(14)19-9-10-20-16/h3-6,14H,2,7-11H2,1H3
InChIKeyYATMQFSLXMDKJH-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 ethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate?
The IUPAC name of ethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate (CID 600233) is ethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate.
What is the SMILES notation for ethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate?
The canonical SMILES for ethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate is CCOC(=O)CC1c2ccccc2CCC12OCCO2.
What is the InChIKey of ethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate?
The InChIKey is YATMQFSLXMDKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O4/c1-2-18-15(17)11-14-13-6-4-3-5-12(13)7-8-16(14)19-9-10-20-16/h3-6,14H,2,7-11H2,1H3.
What are the key properties of ethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate?
ethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate 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 ethyl 2-spiro[1,3-dioxolane-2,2'-3,4-dihydro-1H-naphthalene]-1'-ylacetate is sourced from PubChem (CID 600233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).