ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate

C15H24O4 — CID 11821615

IUPACethyl 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate
SMILESC=CCC1(C(=O)OCC)CCCCCC12OCCO2
InChIInChI=1S/C15H24O4/c1-3-8-14(13(16)17-4-2)9-6-5-7-10-15(14)18-11-12-19-15/h3H,1,4-12H2,2H3
InChIKeyFDRJOWREJJXYHY-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.82
Rot. Bonds4

About ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate

ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate (PubChem CID 11821615) has the molecular formula C15H24O4 and a molecular weight of 268.35 g/mol. Its IUPAC name is ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate.

Molecular Properties

Compound Nameethyl 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate
PubChem CID11821615
Molecular FormulaC15H24O4
Molecular Weight268.35 g/mol
Exact Mass268.17
IUPAC Nameethyl 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate
SMILESC=CCC1(C(=O)OCC)CCCCCC12OCCO2
InChIInChI=1S/C15H24O4/c1-3-8-14(13(16)17-4-2)9-6-5-7-10-15(14)18-11-12-19-15/h3H,1,4-12H2,2H3
InChIKeyFDRJOWREJJXYHY-UHFFFAOYSA-N
XLogP2.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.82
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 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate?
The IUPAC name of ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate (CID 11821615) is ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate.
What is the SMILES notation for ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate?
The canonical SMILES for ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate is C=CCC1(C(=O)OCC)CCCCCC12OCCO2.
What is the InChIKey of ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate?
The InChIKey is FDRJOWREJJXYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O4/c1-3-8-14(13(16)17-4-2)9-6-5-7-10-15(14)18-11-12-19-15/h3H,1,4-12H2,2H3.
What are the key properties of ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate?
ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate has a molecular weight of 268.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.6]undecane-6-carboxylate is sourced from PubChem (CID 11821615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).