(5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene

C10H16O3 — CID 10631345

IUPAC(5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene
SMILESCOCO[C@H]1CCC[C@]12C=CCO2
InChIInChI=1S/C10H16O3/c1-11-8-12-9-4-2-5-10(9)6-3-7-13-10/h3,6,9H,2,4-5,7-8H2,1H3/t9-,10-/m0/s1
InChIKeyOBBCTUMPHVTRKC-UWVGGRQHSA-N
MW184.23 g/mol
LogP1.48
Rot. Bonds3

About (5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene

(5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene (PubChem CID 10631345) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name(5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene
PubChem CID10631345
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene
SMILESCOCO[C@H]1CCC[C@]12C=CCO2
InChIInChI=1S/C10H16O3/c1-11-8-12-9-4-2-5-10(9)6-3-7-13-10/h3,6,9H,2,4-5,7-8H2,1H3/t9-,10-/m0/s1
InChIKeyOBBCTUMPHVTRKC-UWVGGRQHSA-N
XLogP1.48
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene?
The IUPAC name of (5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene (CID 10631345) is (5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene.
What is the SMILES notation for (5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene?
The canonical SMILES for (5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene is COCO[C@H]1CCC[C@]12C=CCO2.
What is the InChIKey of (5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene?
The InChIKey is OBBCTUMPHVTRKC-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16O3/c1-11-8-12-9-4-2-5-10(9)6-3-7-13-10/h3,6,9H,2,4-5,7-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene?
(5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene has a molecular weight of 184.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene is sourced from PubChem (CID 10631345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).