2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane

C15H28O3 — CID 5360718

IUPAC2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane
SMILESC=CCC1([C@@H](C)OCCC)COC(C(C)C)OC1
InChIInChI=1S/C15H28O3/c1-6-8-15(13(5)16-9-7-2)10-17-14(12(3)4)18-11-15/h6,12-14H,1,7-11H2,2-5H3/t13-,14?,15?/m1/s1
InChIKeyNAQZZQUPMYYENO-WLYUNCDWSA-N
MW256.39 g/mol
LogP3.39
Rot. Bonds7

About 2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane

2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane (PubChem CID 5360718) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane.

Molecular Properties

Compound Name2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane
PubChem CID5360718
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane
SMILESC=CCC1([C@@H](C)OCCC)COC(C(C)C)OC1
InChIInChI=1S/C15H28O3/c1-6-8-15(13(5)16-9-7-2)10-17-14(12(3)4)18-11-15/h6,12-14H,1,7-11H2,2-5H3/t13-,14?,15?/m1/s1
InChIKeyNAQZZQUPMYYENO-WLYUNCDWSA-N
XLogP3.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.39
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 2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane?
The IUPAC name of 2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane (CID 5360718) is 2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane.
What is the SMILES notation for 2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane?
The canonical SMILES for 2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane is C=CCC1([C@@H](C)OCCC)COC(C(C)C)OC1.
What is the InChIKey of 2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane?
The InChIKey is NAQZZQUPMYYENO-WLYUNCDWSA-N. The full InChI is InChI=1S/C15H28O3/c1-6-8-15(13(5)16-9-7-2)10-17-14(12(3)4)18-11-15/h6,12-14H,1,7-11H2,2-5H3/t13-,14?,15?/m1/s1.
What are the key properties of 2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane?
2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane has a molecular weight of 256.39 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-prop-2-enyl-5-[(1R)-1-propoxyethyl]-1,3-dioxane is sourced from PubChem (CID 5360718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).