8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane

C14H22O3 — CID 58562707

IUPAC8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane
SMILESC=CCOC(C=C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H22O3/c1-3-9-15-13(4-2)12-5-7-14(8-6-12)16-10-11-17-14/h3-4,12-13H,1-2,5-11H2
InChIKeyYTEQGVLQUSCDSB-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.68
Rot. Bonds5

About 8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane

8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 58562707) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane
PubChem CID58562707
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane
SMILESC=CCOC(C=C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H22O3/c1-3-9-15-13(4-2)12-5-7-14(8-6-12)16-10-11-17-14/h3-4,12-13H,1-2,5-11H2
InChIKeyYTEQGVLQUSCDSB-UHFFFAOYSA-N
XLogP2.68
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane (CID 58562707) is 8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane is C=CCOC(C=C)C1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is YTEQGVLQUSCDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O3/c1-3-9-15-13(4-2)12-5-7-14(8-6-12)16-10-11-17-14/h3-4,12-13H,1-2,5-11H2.
What are the key properties of 8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane?
8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 238.33 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-prop-2-enoxyprop-2-enyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 58562707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).