(2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane

C14H24O3 — CID 134882515

IUPAC(2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane
SMILESC=CCC[C@@H]1O[C@H](C)OC[C@H]1O[C@@H](C=C)CC
InChIInChI=1S/C14H24O3/c1-5-8-9-13-14(10-15-11(4)16-13)17-12(6-2)7-3/h5-6,11-14H,1-2,7-10H2,3-4H3/t11-,12+,13+,14-/m1/s1
InChIKeyRYPKKQUAURWHPB-ZOBORPQBSA-N
MW240.34 g/mol
LogP3.06
Rot. Bonds7

About (2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane

(2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane (PubChem CID 134882515) has the molecular formula C14H24O3 and a molecular weight of 240.34 g/mol. Its IUPAC name is (2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane.

Molecular Properties

Compound Name(2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane
PubChem CID134882515
Molecular FormulaC14H24O3
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name(2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane
SMILESC=CCC[C@@H]1O[C@H](C)OC[C@H]1O[C@@H](C=C)CC
InChIInChI=1S/C14H24O3/c1-5-8-9-13-14(10-15-11(4)16-13)17-12(6-2)7-3/h5-6,11-14H,1-2,7-10H2,3-4H3/t11-,12+,13+,14-/m1/s1
InChIKeyRYPKKQUAURWHPB-ZOBORPQBSA-N
XLogP3.06
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.34
LogP ≤ 53.06
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 (2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane?
The IUPAC name of (2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane (CID 134882515) is (2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane.
What is the SMILES notation for (2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane?
The canonical SMILES for (2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane is C=CCC[C@@H]1O[C@H](C)OC[C@H]1O[C@@H](C=C)CC.
What is the InChIKey of (2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane?
The InChIKey is RYPKKQUAURWHPB-ZOBORPQBSA-N. The full InChI is InChI=1S/C14H24O3/c1-5-8-9-13-14(10-15-11(4)16-13)17-12(6-2)7-3/h5-6,11-14H,1-2,7-10H2,3-4H3/t11-,12+,13+,14-/m1/s1.
What are the key properties of (2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane?
(2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane has a molecular weight of 240.34 g/mol, XLogP of 3.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-4-but-3-enyl-2-methyl-5-[(3R)-pent-1-en-3-yl]oxy-1,3-dioxane is sourced from PubChem (CID 134882515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).