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

C11H18O5 — CID 122670979

IUPACtert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@H]1OC(C)(C)OC1=O
InChIInChI=1S/C11H18O5/c1-10(2,3)15-8(12)6-7-9(13)16-11(4,5)14-7/h7H,6H2,1-5H3/t7-/m1/s1
InChIKeyMEHKDRCBPQJMEH-SSDOTTSWSA-N
MW230.26 g/mol
LogP1.40
Rot. Bonds2

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

tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate (PubChem CID 122670979) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
PubChem CID122670979
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Nametert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@H]1OC(C)(C)OC1=O
InChIInChI=1S/C11H18O5/c1-10(2,3)15-8(12)6-7-9(13)16-11(4,5)14-7/h7H,6H2,1-5H3/t7-/m1/s1
InChIKeyMEHKDRCBPQJMEH-SSDOTTSWSA-N
XLogP1.40
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.40
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-dioxolan-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate (CID 122670979) is tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate is CC(C)(C)OC(=O)C[C@H]1OC(C)(C)OC1=O.
What is the InChIKey of tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate?
The InChIKey is MEHKDRCBPQJMEH-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H18O5/c1-10(2,3)15-8(12)6-7-9(13)16-11(4,5)14-7/h7H,6H2,1-5H3/t7-/m1/s1.
What are the key properties of tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate?
tert-butyl 2-[(4R)-2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl]acetate has a molecular weight of 230.26 g/mol, XLogP of 1.40, 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-dioxolan-4-yl]acetate is sourced from PubChem (CID 122670979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).