(5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one

C10H14O4 — CID 10726611

IUPAC(5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one
SMILESCOCO[C@@H]1CCC[C@]12C=CC(=O)O2
InChIInChI=1S/C10H14O4/c1-12-7-13-8-3-2-5-10(8)6-4-9(11)14-10/h4,6,8H,2-3,5,7H2,1H3/t8-,10+/m1/s1
InChIKeyIBTQMIXPXLZGID-SCZZXKLOSA-N
MW198.22 g/mol
LogP1.01
Rot. Bonds3

About (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one

(5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one (PubChem CID 10726611) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one.

Molecular Properties

Compound Name(5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one
PubChem CID10726611
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one
SMILESCOCO[C@@H]1CCC[C@]12C=CC(=O)O2
InChIInChI=1S/C10H14O4/c1-12-7-13-8-3-2-5-10(8)6-4-9(11)14-10/h4,6,8H,2-3,5,7H2,1H3/t8-,10+/m1/s1
InChIKeyIBTQMIXPXLZGID-SCZZXKLOSA-N
XLogP1.01
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one?
The IUPAC name of (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one (CID 10726611) is (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one.
What is the SMILES notation for (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one?
The canonical SMILES for (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one is COCO[C@@H]1CCC[C@]12C=CC(=O)O2.
What is the InChIKey of (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one?
The InChIKey is IBTQMIXPXLZGID-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H14O4/c1-12-7-13-8-3-2-5-10(8)6-4-9(11)14-10/h4,6,8H,2-3,5,7H2,1H3/t8-,10+/m1/s1.
What are the key properties of (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one?
(5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one has a molecular weight of 198.22 g/mol, XLogP of 1.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-one is sourced from PubChem (CID 10726611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).