(3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane

C12H20O3 — CID 15449905

IUPAC(3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane
SMILESC=CCOC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C12H20O3/c1-2-8-13-9-11-10-14-12(15-11)6-4-3-5-7-12/h2,11H,1,3-10H2/t11-/m1/s1
InChIKeyLNCCZVYNQWTSJJ-LLVKDONJSA-N
MW212.29 g/mol
LogP2.26
Rot. Bonds4

About (3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane

(3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 15449905) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane
PubChem CID15449905
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane
SMILESC=CCOC[C@@H]1COC2(CCCCC2)O1
InChIInChI=1S/C12H20O3/c1-2-8-13-9-11-10-14-12(15-11)6-4-3-5-7-12/h2,11H,1,3-10H2/t11-/m1/s1
InChIKeyLNCCZVYNQWTSJJ-LLVKDONJSA-N
XLogP2.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane (CID 15449905) is (3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane is C=CCOC[C@@H]1COC2(CCCCC2)O1.
What is the InChIKey of (3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is LNCCZVYNQWTSJJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20O3/c1-2-8-13-9-11-10-14-12(15-11)6-4-3-5-7-12/h2,11H,1,3-10H2/t11-/m1/s1.
What are the key properties of (3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane?
(3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 212.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(prop-2-enoxymethyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 15449905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).