ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate

C14H22O4 — CID 10858014

IUPACethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESC=CCC1(C(=O)OCC)CCCCC12OCCO2
InChIInChI=1S/C14H22O4/c1-3-7-13(12(15)16-4-2)8-5-6-9-14(13)17-10-11-18-14/h3H,1,4-11H2,2H3
InChIKeyAEJYLGHPEKHFAE-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.43
Rot. Bonds4

About ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate

ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate (PubChem CID 10858014) has the molecular formula C14H22O4 and a molecular weight of 254.33 g/mol. Its IUPAC name is ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate.

Molecular Properties

Compound Nameethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
PubChem CID10858014
Molecular FormulaC14H22O4
Molecular Weight254.33 g/mol
Exact Mass254.15
IUPAC Nameethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESC=CCC1(C(=O)OCC)CCCCC12OCCO2
InChIInChI=1S/C14H22O4/c1-3-7-13(12(15)16-4-2)8-5-6-9-14(13)17-10-11-18-14/h3H,1,4-11H2,2H3
InChIKeyAEJYLGHPEKHFAE-UHFFFAOYSA-N
XLogP2.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.43
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[4.5]decane-6-carboxylate?
The IUPAC name of ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate (CID 10858014) is ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate.
What is the SMILES notation for ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The canonical SMILES for ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate is C=CCC1(C(=O)OCC)CCCCC12OCCO2.
What is the InChIKey of ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The InChIKey is AEJYLGHPEKHFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4/c1-3-7-13(12(15)16-4-2)8-5-6-9-14(13)17-10-11-18-14/h3H,1,4-11H2,2H3.
What are the key properties of ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 2.43, 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[4.5]decane-6-carboxylate is sourced from PubChem (CID 10858014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).