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

C14H22O6 — CID 16664871

IUPAC(2R,5R)-2-tert-butyl-5-[(2R,4R)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@H]1OC(=O)[C@@H]([C@H]2O[C@@H](C(C)(C)C)OC2=O)O1
InChIInChI=1S/C14H22O6/c1-13(2,3)11-17-7(9(15)19-11)8-10(16)20-12(18-8)14(4,5)6/h7-8,11-12H,1-6H3/t7-,8-,11-,12-/m1/s1
InChIKeyDPNGDJMNARPSBR-GAJNKVMBSA-N
MW286.32 g/mol
LogP1.61
Rot. Bonds1

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

(2R,5R)-2-tert-butyl-5-[(2R,4R)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one (PubChem CID 16664871) has the molecular formula C14H22O6 and a molecular weight of 286.32 g/mol. Its IUPAC name is (2R,5R)-2-tert-butyl-5-[(2R,4R)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2R,5R)-2-tert-butyl-5-[(2R,4R)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one
PubChem CID16664871
Molecular FormulaC14H22O6
Molecular Weight286.32 g/mol
Exact Mass286.14
IUPAC Name(2R,5R)-2-tert-butyl-5-[(2R,4R)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one
SMILESCC(C)(C)[C@H]1OC(=O)[C@@H]([C@H]2O[C@@H](C(C)(C)C)OC2=O)O1
InChIInChI=1S/C14H22O6/c1-13(2,3)11-17-7(9(15)19-11)8-10(16)20-12(18-8)14(4,5)6/h7-8,11-12H,1-6H3/t7-,8-,11-,12-/m1/s1
InChIKeyDPNGDJMNARPSBR-GAJNKVMBSA-N
XLogP1.61
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-Dimethyl-2,3-O-isopropylidene tartrate
CID 688155
4,5-Dimethyl (4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 688156
Diethyl 1,4-dioxaspiro[4,4]nonan-2,3-dicarboxylate
CID 245393
(4R,5R)-Diethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 774789
Diethyl 1,3-dioxolane-4,5-dicarboxylate
CID 575846
Diethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 615621
4,5-Diethyl 2-oxo-1,3-dioxolane-4,5-dicarboxylate
CID 67805693
(3R,4R)-3,4-bis(oxolan-2-yloxy)oxolan-2-one
CID 44343158
Dimethyl 1,4-dioxaspiro[4.4]nonane-2,3-dicarboxylate
CID 249518
2-[(2S,4S)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]acetic acid
CID 10899674
Dimethyl 2,2-dimethyl-1,3-dioxolane-4,5-dicarboxylate
CID 318276
diethyl (4R,5R)-2-ethoxy-2-ethyl-1,3-dioxolane-4,5-dicarboxylate
CID 14640162

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-tert-butyl-5-[(2R,4R)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one?
The IUPAC name of (2R,5R)-2-tert-butyl-5-[(2R,4R)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one (CID 16664871) is (2R,5R)-2-tert-butyl-5-[(2R,4R)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one.
What is the SMILES notation for (2R,5R)-2-tert-butyl-5-[(2R,4R)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one?
The canonical SMILES for (2R,5R)-2-tert-butyl-5-[(2R,4R)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one is CC(C)(C)[C@H]1OC(=O)[C@@H]([C@H]2O[C@@H](C(C)(C)C)OC2=O)O1.
What is the InChIKey of (2R,5R)-2-tert-butyl-5-[(2R,4R)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one?
The InChIKey is DPNGDJMNARPSBR-GAJNKVMBSA-N. The full InChI is InChI=1S/C14H22O6/c1-13(2,3)11-17-7(9(15)19-11)8-10(16)20-12(18-8)14(4,5)6/h7-8,11-12H,1-6H3/t7-,8-,11-,12-/m1/s1.
What are the key properties of (2R,5R)-2-tert-butyl-5-[(2R,4R)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one?
(2R,5R)-2-tert-butyl-5-[(2R,4R)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one has a molecular weight of 286.32 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-tert-butyl-5-[(2R,4R)-2-tert-butyl-5-oxo-1,3-dioxolan-4-yl]-1,3-dioxolan-4-one is sourced from PubChem (CID 16664871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).