tert-butyl 2-[(4R,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate

C14H24O5 — CID 134854540

IUPACtert-butyl 2-[(4R,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate
SMILESC[C@@H]1OC(C)(C)O[C@](C)(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C14H24O5/c1-9-11(16)14(7,19-13(5,6)17-9)8-10(15)18-12(2,3)4/h9H,8H2,1-7H3/t9-,14+/m0/s1
InChIKeyHRXCHVKZZACMJC-LKFCYVNXSA-N
MW272.34 g/mol
LogP2.22
Rot. Bonds2

About tert-butyl 2-[(4R,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate

tert-butyl 2-[(4R,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate (PubChem CID 134854540) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl 2-[(4R,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate
PubChem CID134854540
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Nametert-butyl 2-[(4R,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate
SMILESC[C@@H]1OC(C)(C)O[C@](C)(CC(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C14H24O5/c1-9-11(16)14(7,19-13(5,6)17-9)8-10(15)18-12(2,3)4/h9H,8H2,1-7H3/t9-,14+/m0/s1
InChIKeyHRXCHVKZZACMJC-LKFCYVNXSA-N
XLogP2.22
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.22
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,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate (CID 134854540) is tert-butyl 2-[(4R,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate is C[C@@H]1OC(C)(C)O[C@](C)(CC(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl 2-[(4R,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate?
The InChIKey is HRXCHVKZZACMJC-LKFCYVNXSA-N. The full InChI is InChI=1S/C14H24O5/c1-9-11(16)14(7,19-13(5,6)17-9)8-10(15)18-12(2,3)4/h9H,8H2,1-7H3/t9-,14+/m0/s1.
What are the key properties of tert-butyl 2-[(4R,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate?
tert-butyl 2-[(4R,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate has a molecular weight of 272.34 g/mol, XLogP of 2.22, 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,6S)-2,2,4,6-tetramethyl-5-oxo-1,3-dioxan-4-yl]acetate is sourced from PubChem (CID 134854540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).