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

C15H24O4 — CID 11346206

IUPACethyl 2-(7-methyl-8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)propanoate
SMILESC=C1CCC2(CC1(C)C(C)C(=O)OCC)OCCO2
InChIInChI=1S/C15H24O4/c1-5-17-13(16)12(3)14(4)10-15(7-6-11(14)2)18-8-9-19-15/h12H,2,5-10H2,1,3-4H3
InChIKeyKCGWLMHPXUHXDA-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.68
Rot. Bonds3

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

ethyl 2-(7-methyl-8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)propanoate (PubChem CID 11346206) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is ethyl 2-(7-methyl-8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(7-methyl-8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)propanoate
PubChem CID11346206
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Nameethyl 2-(7-methyl-8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)propanoate
SMILESC=C1CCC2(CC1(C)C(C)C(=O)OCC)OCCO2
InChIInChI=1S/C15H24O4/c1-5-17-13(16)12(3)14(4)10-15(7-6-11(14)2)18-8-9-19-15/h12H,2,5-10H2,1,3-4H3
InChIKeyKCGWLMHPXUHXDA-UHFFFAOYSA-N
XLogP2.68
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-methyl-8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)propanoate?
The IUPAC name of ethyl 2-(7-methyl-8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)propanoate (CID 11346206) is ethyl 2-(7-methyl-8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)propanoate.
What is the SMILES notation for ethyl 2-(7-methyl-8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)propanoate?
The canonical SMILES for ethyl 2-(7-methyl-8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)propanoate is C=C1CCC2(CC1(C)C(C)C(=O)OCC)OCCO2.
What is the InChIKey of ethyl 2-(7-methyl-8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)propanoate?
The InChIKey is KCGWLMHPXUHXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-5-17-13(16)12(3)14(4)10-15(7-6-11(14)2)18-8-9-19-15/h12H,2,5-10H2,1,3-4H3.
What are the key properties of ethyl 2-(7-methyl-8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)propanoate?
ethyl 2-(7-methyl-8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)propanoate has a molecular weight of 268.35 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-methyl-8-methylidene-1,4-dioxaspiro[4.5]decan-7-yl)propanoate is sourced from PubChem (CID 11346206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).