5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane

C11H20O3 — CID 5360715

IUPAC5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane
SMILESC=CCC1([C@@H](C)OC)COC(C)OC1
InChIInChI=1S/C11H20O3/c1-5-6-11(9(2)12-4)7-13-10(3)14-8-11/h5,9-10H,1,6-8H2,2-4H3/t9-,10?,11?/m1/s1
InChIKeySZZGKCYDGKYICS-KPPDAEKUSA-N
MW200.28 g/mol
LogP1.98
Rot. Bonds4

About 5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane

5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane (PubChem CID 5360715) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane.

Molecular Properties

Compound Name5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane
PubChem CID5360715
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane
SMILESC=CCC1([C@@H](C)OC)COC(C)OC1
InChIInChI=1S/C11H20O3/c1-5-6-11(9(2)12-4)7-13-10(3)14-8-11/h5,9-10H,1,6-8H2,2-4H3/t9-,10?,11?/m1/s1
InChIKeySZZGKCYDGKYICS-KPPDAEKUSA-N
XLogP1.98
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.98
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 5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane?
The IUPAC name of 5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane (CID 5360715) is 5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane.
What is the SMILES notation for 5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane?
The canonical SMILES for 5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane is C=CCC1([C@@H](C)OC)COC(C)OC1.
What is the InChIKey of 5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane?
The InChIKey is SZZGKCYDGKYICS-KPPDAEKUSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-6-11(9(2)12-4)7-13-10(3)14-8-11/h5,9-10H,1,6-8H2,2-4H3/t9-,10?,11?/m1/s1.
What are the key properties of 5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane?
5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane has a molecular weight of 200.28 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-methoxyethyl]-2-methyl-5-prop-2-enyl-1,3-dioxane is sourced from PubChem (CID 5360715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).