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

C10H16O3 — CID 10679051

IUPAC(5S,9R)-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+/m1/s1
InChIKeyOBBCTUMPHVTRKC-ZJUUUORDSA-N
MW184.23 g/mol
LogP1.48
Rot. Bonds3

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

(5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene (PubChem CID 10679051) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name(5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene
PubChem CID10679051
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(5S,9R)-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+/m1/s1
InChIKeyOBBCTUMPHVTRKC-ZJUUUORDSA-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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Related Compounds

4-methoxy-1-[(2S,5S,9S)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-en-2-yl]-5-methylpyrimidin-2-one
CID 101167603
[2-(methoxymethoxy)-1-methylcyclohexyl] 2-methylprop-2-enoate
CID 135225191
[(1R,2R,6S)-2-(acetyloxymethyl)-2-hydroxy-6-(methoxymethoxy)-1-methylcyclohexyl]methyl acetate
CID 101354324
(1S)-1-[(5S,6R,8S)-8-phenylmethoxy-1-oxaspiro[4.6]undec-3-en-6-yl]ethanol
CID 46844716
cis-methyl (1R,2R)-1-acetamido-2-(methoxymethoxy)cyclobutane-1-carboxylate
CID 11345257
(1R,5R,6R,7S,11R)-7-(methoxymethoxy)-13-methyl-14-oxatetracyclo[9.2.1.01,5.06,11]tetradec-12-ene
CID 15751298
(9S)-9-(methoxymethoxymethyl)-1,4-dioxaspiro[4.4]nonane
CID 124672672
CID 102308342
CID 102308342
[(1R)-2-(methoxymethoxy)-1-[2-[2-[(1R,2R)-2-(methoxymethoxy)-1-phenylcyclohexyl]oxyethoxy]ethoxy]cyclohexyl]benzene
CID 6711989
trans-(2S,3R)-3-(methoxymethoxy)-2-(2-oxopropyl)-2-prop-2-enylcyclohexan-1-one
CID 53341825
trans-(2R,3S)-3-(methoxymethoxy)-2-(2-oxopropyl)-2-prop-2-enylcyclohexan-1-one
CID 53343978
1-(3,4-dichlorophenyl)-7-(methoxymethoxy)-8-azabicyclo[3.2.1]octane
CID 57243569

Frequently Asked Questions

What is the IUPAC name of (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene?
The IUPAC name of (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene (CID 10679051) is (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene.
What is the SMILES notation for (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene?
The canonical SMILES for (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene is COCO[C@@H]1CCC[C@]12C=CCO2.
What is the InChIKey of (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene?
The InChIKey is OBBCTUMPHVTRKC-ZJUUUORDSA-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+/m1/s1.
What are the key properties of (5S,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene?
(5S,9R)-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,9R)-9-(methoxymethoxy)-1-oxaspiro[4.4]non-3-ene is sourced from PubChem (CID 10679051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).