8-(1-prop-2-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane

C15H24O3 — CID 58562838

IUPAC8-(1-prop-2-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane
SMILESC=CCOC(CC=C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H24O3/c1-3-5-14(16-10-4-2)13-6-8-15(9-7-13)17-11-12-18-15/h3-4,13-14H,1-2,5-12H2
InChIKeyXPVXQMLBSLWJDV-UHFFFAOYSA-N
MW252.35 g/mol
LogP3.07
Rot. Bonds6

About 8-(1-prop-2-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane

8-(1-prop-2-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 58562838) has the molecular formula C15H24O3 and a molecular weight of 252.35 g/mol. Its IUPAC name is 8-(1-prop-2-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-prop-2-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane
PubChem CID58562838
Molecular FormulaC15H24O3
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name8-(1-prop-2-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane
SMILESC=CCOC(CC=C)C1CCC2(CC1)OCCO2
InChIInChI=1S/C15H24O3/c1-3-5-14(16-10-4-2)13-6-8-15(9-7-13)17-11-12-18-15/h3-4,13-14H,1-2,5-12H2
InChIKeyXPVXQMLBSLWJDV-UHFFFAOYSA-N
XLogP3.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.35
LogP ≤ 53.07
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-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(1-prop-2-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane (CID 58562838) is 8-(1-prop-2-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(1-prop-2-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(1-prop-2-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane is C=CCOC(CC=C)C1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(1-prop-2-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is XPVXQMLBSLWJDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O3/c1-3-5-14(16-10-4-2)13-6-8-15(9-7-13)17-11-12-18-15/h3-4,13-14H,1-2,5-12H2.
What are the key properties of 8-(1-prop-2-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane?
8-(1-prop-2-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 252.35 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-prop-2-enoxybut-3-enyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 58562838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).