methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate

C10H16O4 — CID 163458835

IUPACmethyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C)CCC12OCCO2
InChIInChI=1S/C10H16O4/c1-7-3-4-10(13-5-6-14-10)8(7)9(11)12-2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyBMUZUYQEGISNMW-YUMQZZPRSA-N
MW200.23 g/mol
LogP0.95
Rot. Bonds1

About methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate

methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate (PubChem CID 163458835) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate.

Molecular Properties

Compound Namemethyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate
PubChem CID163458835
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Namemethyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate
SMILESCOC(=O)[C@@H]1[C@@H](C)CCC12OCCO2
InChIInChI=1S/C10H16O4/c1-7-3-4-10(13-5-6-14-10)8(7)9(11)12-2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyBMUZUYQEGISNMW-YUMQZZPRSA-N
XLogP0.95
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate with MolForge

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Related Compounds

methyl 7-[(8S,9R)-8-hydroxy-1,4-dioxaspiro[4.4]nonan-9-yl]-7-oxoheptanoate
CID 23239275
methyl (3'aR,4'S,7'R,7'aS)-7'-acetyloxy-6'-oxospiro[1,3-dioxolane-2,1'-3,3a,4,5,7,7a-hexahydro-2H-indene]-4'-carboxylate
CID 11823094
dimethyl 1,4-dimethyl-7-oxabicyclo[2.2.1]heptane-2,3-dicarboxylate
CID 5081715
dimethyl (6S,10S)-1,4-dioxaspiro[4.5]decane-6,10-dicarboxylate
CID 139085135
methyl (2R,3S)-3-methyloxolane-2-carboxylate
CID 131847229
methyl (4R,5R,12R)-4-acetyl-7,10-dioxadispiro[4.0.46.25]dodecane-12-carboxylate
CID 101093489
methyl 5-hydroxy-2,2-dimethylcyclopentane-1-carboxylate
CID 170070981
methyl (3S)-4,9,12-trioxadispiro[4.2.48.25]tetradecane-3-carboxylate
CID 171991435
methyl 9-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxylate
CID 10466322
methyl (2R,3S,4R)-2,4-dimethyloxane-3-carboxylate
CID 14417467
methyl (1'S,4'R,5'S,7'R)-5'-bromospiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-7'-carboxylate
CID 124536792
methyl 8-methyl-3-oxo-1-oxaspiro[4.4]nonane-4-carboxylate
CID 164646102

Frequently Asked Questions

What is the IUPAC name of methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate?
The IUPAC name of methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate (CID 163458835) is methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate.
What is the SMILES notation for methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate?
The canonical SMILES for methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate is COC(=O)[C@@H]1[C@@H](C)CCC12OCCO2.
What is the InChIKey of methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate?
The InChIKey is BMUZUYQEGISNMW-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H16O4/c1-7-3-4-10(13-5-6-14-10)8(7)9(11)12-2/h7-8H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate?
methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate has a molecular weight of 200.23 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (8S,9R)-8-methyl-1,4-dioxaspiro[4.4]nonane-9-carboxylate is sourced from PubChem (CID 163458835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).