methyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate

C14H20O6 — CID 559925

IUPACmethyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
SMILESCOC(=O)CCC1=C(C(=O)OC)CC2(CC1)OCCO2
InChIInChI=1S/C14H20O6/c1-17-12(15)4-3-10-5-6-14(19-7-8-20-14)9-11(10)13(16)18-2/h3-9H2,1-2H3
InChIKeyBMCIFKRZIQGNJY-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.34
Rot. Bonds4

About methyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate

methyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate (PubChem CID 559925) has the molecular formula C14H20O6 and a molecular weight of 284.31 g/mol. Its IUPAC name is methyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate.

Molecular Properties

Compound Namemethyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
PubChem CID559925
Molecular FormulaC14H20O6
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Namemethyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
SMILESCOC(=O)CCC1=C(C(=O)OC)CC2(CC1)OCCO2
InChIInChI=1S/C14H20O6/c1-17-12(15)4-3-10-5-6-14(19-7-8-20-14)9-11(10)13(16)18-2/h3-9H2,1-2H3
InChIKeyBMCIFKRZIQGNJY-UHFFFAOYSA-N
XLogP1.34
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate with MolForge

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Related Compounds

Methyl 11-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)undecanoate
CID 21775129
Methyl 9-(2-methoxy-3,4-dimethyl-5-oxofuran-2-yl)nonanoate
CID 21775131
Methyl 2-oxabicyclo[2.2.1]hept-4-ene-5-carboxylate
CID 91444841
Ethyl 7-methyl-1,4-dioxaspiro[4.5]dec-7-ene-8-carboxylate
CID 12523916
Ethyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 54678506
Methyl 8-hydroxy-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate
CID 54688327
Ethyl 1,4-dioxaspiro[4.5]dec-6-ene-6-carboxylate
CID 11790518
2-Methyl-3-carboethoxy-1,6-dioxaspiro[4,4]non-2-ene
CID 13101433
methyl (7E)-1,4-dioxaspiro[4.7]dodec-7-ene-7-carboxylate
CID 13296490
Ethyl 2-[5-(1,3-dioxolan-2-yl)pentyl]cyclohexene-1-carboxylate
CID 134942632
methyl (3aR,6S,7aS)-6-(methoxymethoxy)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-4-carboxylate
CID 135044568
(E)-1,3-dimethoxy-2-[(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methyl]-3-oxoprop-1-en-1-olate
CID 135047803

Frequently Asked Questions

What is the IUPAC name of methyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
The IUPAC name of methyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate (CID 559925) is methyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate.
What is the SMILES notation for methyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
The canonical SMILES for methyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate is COC(=O)CCC1=C(C(=O)OC)CC2(CC1)OCCO2.
What is the InChIKey of methyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
The InChIKey is BMCIFKRZIQGNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O6/c1-17-12(15)4-3-10-5-6-14(19-7-8-20-14)9-11(10)13(16)18-2/h3-9H2,1-2H3.
What are the key properties of methyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate?
methyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]dec-7-ene-7-carboxylate is sourced from PubChem (CID 559925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).