methyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate

C12H18O4 — CID 121002759

IUPACmethyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate
SMILESC=C1CCC2(CC1CC(=O)OC)OCCO2
InChIInChI=1S/C12H18O4/c1-9-3-4-12(15-5-6-16-12)8-10(9)7-11(13)14-2/h10H,1,3-8H2,2H3
InChIKeyIYZFKIXGTLUKLF-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.65
Rot. Bonds2

About methyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate

methyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate (PubChem CID 121002759) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is methyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate
PubChem CID121002759
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Namemethyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate
SMILESC=C1CCC2(CC1CC(=O)OC)OCCO2
InChIInChI=1S/C12H18O4/c1-9-3-4-12(15-5-6-16-12)8-10(9)7-11(13)14-2/h10H,1,3-8H2,2H3
InChIKeyIYZFKIXGTLUKLF-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl (8-oxo-1,4-dioxaspiro[4.5]decan-7-yl) carbonate
CID 134867325
methyl 2-[8-(cyanomethyl)-1,4-dioxaspiro[4.5]decan-8-yl]acetate
CID 178102236
methyl 2-[(8-amino-1,4-dioxaspiro[4.5]decan-7-yl)sulfanyl]acetate
CID 64615213
ethane;methyl 9-(2-methoxy-2-oxoethyl)-1,5-dioxaspiro[5.5]undecane-10-carboxylate
CID 142951724
methyl (E)-3-hydroxy-3-methoxy-2-[(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl)methyl]prop-2-enoate
CID 135047804
methyl 8-hydroxy-8-(3-methoxy-3-oxopropyl)-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 567347
7-methoxy-1,4-dioxaspiro[4.5]decan-8-one
CID 123852944
methyl 2-[(5E)-5-[(E)-2-hydroxybut-2-enylidene]-4-methylideneoxolan-3-yl]acetate
CID 143601251
7-[(E)-but-2-enyl]-1,4-dioxaspiro[4.5]decan-8-one
CID 177206913
methyl 2-(2,6-dioxopiperidin-3-yl)acetate
CID 138460854
(7S)-7-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dioxaspiro[4.5]decan-8-one
CID 134855082
2-methyl-1-(8-oxo-1,4-dioxaspiro[4.5]decan-7-yl)propane-2-sulfinamide
CID 139332370

Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate?
The IUPAC name of methyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate (CID 121002759) is methyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate.
What is the SMILES notation for methyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate?
The canonical SMILES for methyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate is C=C1CCC2(CC1CC(=O)OC)OCCO2.
What is the InChIKey of methyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate?
The InChIKey is IYZFKIXGTLUKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-9-3-4-12(15-5-6-16-12)8-10(9)7-11(13)14-2/h10H,1,3-8H2,2H3.
What are the key properties of methyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate?
methyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate has a molecular weight of 226.27 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)acetate is sourced from PubChem (CID 121002759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).