6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane]

C16H23NO5 — CID 134836282

IUPAC6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane]
SMILESCCOC1CCC2(NO1)OCCc1cc(OC)c(OC)cc12
InChIInChI=1S/C16H23NO5/c1-4-20-15-5-7-16(17-22-15)12-10-14(19-3)13(18-2)9-11(12)6-8-21-16/h9-10,15,17H,4-8H2,1-3H3
InChIKeyUEFBEUYABXOLNE-UHFFFAOYSA-N
MW309.36 g/mol
LogP2.11
Rot. Bonds4

About 6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane]

6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane] (PubChem CID 134836282) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is 6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane].

Molecular Properties

Compound Name6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane]
PubChem CID134836282
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Name6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane]
SMILESCCOC1CCC2(NO1)OCCc1cc(OC)c(OC)cc12
InChIInChI=1S/C16H23NO5/c1-4-20-15-5-7-16(17-22-15)12-10-14(19-3)13(18-2)9-11(12)6-8-21-16/h9-10,15,17H,4-8H2,1-3H3
InChIKeyUEFBEUYABXOLNE-UHFFFAOYSA-N
XLogP2.11
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane]?
The IUPAC name of 6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane] (CID 134836282) is 6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane].
What is the SMILES notation for 6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane]?
The canonical SMILES for 6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane] is CCOC1CCC2(NO1)OCCc1cc(OC)c(OC)cc12.
What is the InChIKey of 6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane]?
The InChIKey is UEFBEUYABXOLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-4-20-15-5-7-16(17-22-15)12-10-14(19-3)13(18-2)9-11(12)6-8-21-16/h9-10,15,17H,4-8H2,1-3H3.
What are the key properties of 6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane]?
6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane] has a molecular weight of 309.36 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-ethoxy-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,3'-oxazinane] is sourced from PubChem (CID 134836282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).