(2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one

C12H20O3 — CID 15362395

IUPAC(2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one
SMILESC[C@@H]1C[C@@]12C(=O)O[C@H](C(C)(C)C)O[C@@H]2C
InChIInChI=1S/C12H20O3/c1-7-6-12(7)8(2)14-10(11(3,4)5)15-9(12)13/h7-8,10H,6H2,1-5H3/t7-,8-,10-,12-/m1/s1
InChIKeyVEYKFGHLNRULLI-FWSPBBIJSA-N
MW212.29 g/mol
LogP2.35
Rot. Bonds

About (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one

(2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one (PubChem CID 15362395) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name(2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one
PubChem CID15362395
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name(2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one
SMILESC[C@@H]1C[C@@]12C(=O)O[C@H](C(C)(C)C)O[C@@H]2C
InChIInChI=1S/C12H20O3/c1-7-6-12(7)8(2)14-10(11(3,4)5)15-9(12)13/h7-8,10H,6H2,1-5H3/t7-,8-,10-,12-/m1/s1
InChIKeyVEYKFGHLNRULLI-FWSPBBIJSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one with MolForge

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Launch Full Analysis

Related Compounds

(4R)-8-tert-butyl-4,10-dimethyl-7,9-dioxa-1,2-diazaspiro[4.5]dec-1-en-6-one
CID 100955096
2-tert-butyl-5,5,6-trimethyl-1,3-dioxan-4-one
CID 550947
(2R,4R,6R)-6-tert-butyl-1,2,4-trimethyl-5,7-dioxaspiro[2.5]octan-8-one
CID 15362390
(1'R,2S,4'R,5R)-2-tert-butylspiro[1,3-dioxolane-5,5'-bicyclo[2.2.1]hept-2-ene]-4-one
CID 11770048
2-tert-butyl-1,3-dioxaspiro[4.5]dec-7-en-4-one
CID 10608514
2-tert-butyl-5-(hydroxymethyl)-5-methyl-1,3-dioxane-4,6-dione
CID 141236108
(4S,6S)-6-tert-butyl-3,3-dichloro-5,7-dioxaspiro[3.4]octane-2,8-dione
CID 102182327
(2R,5R)-2-tert-butyl-5-propan-2-yl-1,3-dioxolan-4-one
CID 91701869
4a-but-3-enyl-2-tert-butyl-5,6,7,7a-tetrahydrocyclopenta[d][1,3]dioxin-4-one
CID 564361
2-tert-butyl-4a-[(E)-3-chlorobut-2-enyl]-5,6,7,7a-tetrahydrocyclopenta[d][1,3]dioxin-4-one
CID 5370992
(2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one
CID 14114159
2-tert-butyl-1,3-dioxacyclotridecane-4,13-dione
CID 140975649

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one?
The IUPAC name of (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one (CID 15362395) is (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one.
What is the SMILES notation for (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one?
The canonical SMILES for (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one is C[C@@H]1C[C@@]12C(=O)O[C@H](C(C)(C)C)O[C@@H]2C.
What is the InChIKey of (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one?
The InChIKey is VEYKFGHLNRULLI-FWSPBBIJSA-N. The full InChI is InChI=1S/C12H20O3/c1-7-6-12(7)8(2)14-10(11(3,4)5)15-9(12)13/h7-8,10H,6H2,1-5H3/t7-,8-,10-,12-/m1/s1.
What are the key properties of (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one?
(2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one has a molecular weight of 212.29 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one is sourced from PubChem (CID 15362395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).