3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane

C12H20O3 — CID 169448036

IUPAC3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane
SMILESC=CCOC1(C)COC2(CCCCC2)O1
InChIInChI=1S/C12H20O3/c1-3-9-13-11(2)10-14-12(15-11)7-5-4-6-8-12/h3H,1,4-10H2,2H3
InChIKeySKPONQJTEBURSI-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.61
Rot. Bonds3

About 3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane

3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane (PubChem CID 169448036) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane
PubChem CID169448036
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane
SMILESC=CCOC1(C)COC2(CCCCC2)O1
InChIInChI=1S/C12H20O3/c1-3-9-13-11(2)10-14-12(15-11)7-5-4-6-8-12/h3H,1,4-10H2,2H3
InChIKeySKPONQJTEBURSI-UHFFFAOYSA-N
XLogP2.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.61
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 3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane (CID 169448036) is 3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane is C=CCOC1(C)COC2(CCCCC2)O1.
What is the InChIKey of 3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane?
The InChIKey is SKPONQJTEBURSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-9-13-11(2)10-14-12(15-11)7-5-4-6-8-12/h3H,1,4-10H2,2H3.
What are the key properties of 3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane?
3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane has a molecular weight of 212.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-prop-2-enoxy-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 169448036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).