tert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate

C14H24O4 — CID 67371871

IUPACtert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESC=C[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C14H24O4/c1-7-10-8-11(17-14(5,6)16-10)9-12(15)18-13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m1/s1
InChIKeyOSNUGXHZKGQAMT-GHMZBOCLSA-N
MW256.34 g/mol
LogP2.81
Rot. Bonds3

About tert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate

tert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate (PubChem CID 67371871) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is tert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate
PubChem CID67371871
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Nametert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate
SMILESC=C[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1
InChIInChI=1S/C14H24O4/c1-7-10-8-11(17-14(5,6)16-10)9-12(15)18-13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m1/s1
InChIKeyOSNUGXHZKGQAMT-GHMZBOCLSA-N
XLogP2.81
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 tert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate (CID 67371871) is tert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate is C=C[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1.
What is the InChIKey of tert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
The InChIKey is OSNUGXHZKGQAMT-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H24O4/c1-7-10-8-11(17-14(5,6)16-10)9-12(15)18-13(2,3)4/h7,10-11H,1,8-9H2,2-6H3/t10-,11-/m1/s1.
What are the key properties of tert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate?
tert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate has a molecular weight of 256.34 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4R,6S)-6-ethenyl-2,2-dimethyl-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 67371871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).