3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one

C18H18O4 — CID 11174024

IUPAC3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one
SMILESCOc1ccc2ccc(OC)c3c2c1C(=O)C31CCCCO1
InChIInChI=1S/C18H18O4/c1-20-12-7-5-11-6-8-13(21-2)16-14(11)15(12)17(19)18(16)9-3-4-10-22-18/h5-8H,3-4,9-10H2,1-2H3
InChIKeyUEKZNNQLNIGSBW-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.45
Rot. Bonds2

About 3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one

3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one (PubChem CID 11174024) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one.

Molecular Properties

Compound Name3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one
PubChem CID11174024
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one
SMILESCOc1ccc2ccc(OC)c3c2c1C(=O)C31CCCCO1
InChIInChI=1S/C18H18O4/c1-20-12-7-5-11-6-8-13(21-2)16-14(11)15(12)17(19)18(16)9-3-4-10-22-18/h5-8H,3-4,9-10H2,1-2H3
InChIKeyUEKZNNQLNIGSBW-UHFFFAOYSA-N
XLogP3.45
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one?
The IUPAC name of 3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one (CID 11174024) is 3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one.
What is the SMILES notation for 3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one?
The canonical SMILES for 3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one is COc1ccc2ccc(OC)c3c2c1C(=O)C31CCCCO1.
What is the InChIKey of 3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one?
The InChIKey is UEKZNNQLNIGSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-20-12-7-5-11-6-8-13(21-2)16-14(11)15(12)17(19)18(16)9-3-4-10-22-18/h5-8H,3-4,9-10H2,1-2H3.
What are the key properties of 3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one?
3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one has a molecular weight of 298.34 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dimethoxyspiro[acenaphthylene-2,2'-oxane]-1-one is sourced from PubChem (CID 11174024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).