methyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate

C11H16O4 — CID 10878465

IUPACmethyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate
SMILESCOC(=O)/C=C1\CCC2(CCCCO2)O1
InChIInChI=1S/C11H16O4/c1-13-10(12)8-9-4-6-11(15-9)5-2-3-7-14-11/h8H,2-7H2,1H3/b9-8+
InChIKeyVQODEYOJKYVUSB-CMDGGOBGSA-N
MW212.24 g/mol
LogP1.75
Rot. Bonds1

About methyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate

methyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate (PubChem CID 10878465) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is methyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate.

Molecular Properties

Compound Namemethyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate
PubChem CID10878465
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Namemethyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate
SMILESCOC(=O)/C=C1\CCC2(CCCCO2)O1
InChIInChI=1S/C11H16O4/c1-13-10(12)8-9-4-6-11(15-9)5-2-3-7-14-11/h8H,2-7H2,1H3/b9-8+
InChIKeyVQODEYOJKYVUSB-CMDGGOBGSA-N
XLogP1.75
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate?
The IUPAC name of methyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate (CID 10878465) is methyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate.
What is the SMILES notation for methyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate?
The canonical SMILES for methyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate is COC(=O)/C=C1\CCC2(CCCCO2)O1.
What is the InChIKey of methyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate?
The InChIKey is VQODEYOJKYVUSB-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H16O4/c1-13-10(12)8-9-4-6-11(15-9)5-2-3-7-14-11/h8H,2-7H2,1H3/b9-8+.
What are the key properties of methyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate?
methyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate has a molecular weight of 212.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2E)-2-(1,10-dioxaspiro[4.5]decan-2-ylidene)acetate is sourced from PubChem (CID 10878465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).