(4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one

C10H16O3 — CID 11084541

IUPAC(4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one
SMILESC=C[C@@H]1C[C@H](C(C)(C)C)OC(=O)O1
InChIInChI=1S/C10H16O3/c1-5-7-6-8(10(2,3)4)13-9(11)12-7/h5,7-8H,1,6H2,2-4H3/t7-,8-/m1/s1
InChIKeyJIRKIMVWUXXKBT-HTQZYQBOSA-N
MW184.23 g/mol
LogP2.51
Rot. Bonds1

About (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one

(4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one (PubChem CID 11084541) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one.

Molecular Properties

Compound Name(4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one
PubChem CID11084541
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one
SMILESC=C[C@@H]1C[C@H](C(C)(C)C)OC(=O)O1
InChIInChI=1S/C10H16O3/c1-5-7-6-8(10(2,3)4)13-9(11)12-7/h5,7-8H,1,6H2,2-4H3/t7-,8-/m1/s1
InChIKeyJIRKIMVWUXXKBT-HTQZYQBOSA-N
XLogP2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one?
The IUPAC name of (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one (CID 11084541) is (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one.
What is the SMILES notation for (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one?
The canonical SMILES for (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one is C=C[C@@H]1C[C@H](C(C)(C)C)OC(=O)O1.
What is the InChIKey of (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one?
The InChIKey is JIRKIMVWUXXKBT-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16O3/c1-5-7-6-8(10(2,3)4)13-9(11)12-7/h5,7-8H,1,6H2,2-4H3/t7-,8-/m1/s1.
What are the key properties of (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one?
(4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one has a molecular weight of 184.23 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,6S)-4-tert-butyl-6-ethenyl-1,3-dioxan-2-one is sourced from PubChem (CID 11084541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).