(4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane

C11H20O2 — CID 11789899

IUPAC(4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane
SMILESC=C[C@@H](C)[C@H]1OC(C)(C)OC[C@@H]1C
InChIInChI=1S/C11H20O2/c1-6-8(2)10-9(3)7-12-11(4,5)13-10/h6,8-10H,1,7H2,2-5H3/t8-,9+,10-/m1/s1
InChIKeyDUGYTTIOWRSFHX-KXUCPTDWSA-N
MW184.28 g/mol
LogP2.60
Rot. Bonds2

About (4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane

(4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane (PubChem CID 11789899) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane.

Molecular Properties

Compound Name(4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane
PubChem CID11789899
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane
SMILESC=C[C@@H](C)[C@H]1OC(C)(C)OC[C@@H]1C
InChIInChI=1S/C11H20O2/c1-6-8(2)10-9(3)7-12-11(4,5)13-10/h6,8-10H,1,7H2,2-5H3/t8-,9+,10-/m1/s1
InChIKeyDUGYTTIOWRSFHX-KXUCPTDWSA-N
XLogP2.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane?
The IUPAC name of (4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane (CID 11789899) is (4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane.
What is the SMILES notation for (4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane?
The canonical SMILES for (4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane is C=C[C@@H](C)[C@H]1OC(C)(C)OC[C@@H]1C.
What is the InChIKey of (4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane?
The InChIKey is DUGYTTIOWRSFHX-KXUCPTDWSA-N. The full InChI is InChI=1S/C11H20O2/c1-6-8(2)10-9(3)7-12-11(4,5)13-10/h6,8-10H,1,7H2,2-5H3/t8-,9+,10-/m1/s1.
What are the key properties of (4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane?
(4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane has a molecular weight of 184.28 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[(2R)-but-3-en-2-yl]-2,2,5-trimethyl-1,3-dioxane is sourced from PubChem (CID 11789899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).