tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate

C12H20O5 — CID 134856175

IUPACtert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@H]1OC(C)(C)OCC1=O
InChIInChI=1S/C12H20O5/c1-11(2,3)17-10(14)6-9-8(13)7-15-12(4,5)16-9/h9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyDFFBVUVLWNVDGY-SECBINFHSA-N
MW244.29 g/mol
LogP1.44
Rot. Bonds2

About tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate

tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate (PubChem CID 134856175) has the molecular formula C12H20O5 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate
PubChem CID134856175
Molecular FormulaC12H20O5
Molecular Weight244.29 g/mol
Exact Mass244.13
IUPAC Nametert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@H]1OC(C)(C)OCC1=O
InChIInChI=1S/C12H20O5/c1-11(2,3)17-10(14)6-9-8(13)7-15-12(4,5)16-9/h9H,6-7H2,1-5H3/t9-/m1/s1
InChIKeyDFFBVUVLWNVDGY-SECBINFHSA-N
XLogP1.44
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate (CID 134856175) is tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate is CC(C)(C)OC(=O)C[C@H]1OC(C)(C)OCC1=O.
What is the InChIKey of tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate?
The InChIKey is DFFBVUVLWNVDGY-SECBINFHSA-N. The full InChI is InChI=1S/C12H20O5/c1-11(2,3)17-10(14)6-9-8(13)7-15-12(4,5)16-9/h9H,6-7H2,1-5H3/t9-/m1/s1.
What are the key properties of tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate?
tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate has a molecular weight of 244.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 134856175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).