(2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one

C10H18O3 — CID 14114159

IUPAC(2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one
SMILESCC1(C)CC(=O)O[C@H](C(C)(C)C)O1
InChIInChI=1S/C10H18O3/c1-9(2,3)8-12-7(11)6-10(4,5)13-8/h8H,6H2,1-5H3/t8-/m0/s1
InChIKeyULAREYUOECVIHI-QMMMGPOBSA-N
MW186.25 g/mol
LogP2.10
Rot. Bonds

About (2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one

(2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one (PubChem CID 14114159) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one.

Molecular Properties

Compound Name(2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one
PubChem CID14114159
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one
SMILESCC1(C)CC(=O)O[C@H](C(C)(C)C)O1
InChIInChI=1S/C10H18O3/c1-9(2,3)8-12-7(11)6-10(4,5)13-8/h8H,6H2,1-5H3/t8-/m0/s1
InChIKeyULAREYUOECVIHI-QMMMGPOBSA-N
XLogP2.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-1,3-dioxacyclotridecane-4,13-dione
CID 140975649
(2S,5R)-2-tert-butyl-5-methyl-5-prop-2-enyl-1,3-dioxolan-4-one
CID 11030787
(4S,6S)-6-tert-butyl-3,3-dichloro-5,7-dioxaspiro[3.4]octane-2,8-dione
CID 102182327
2-tert-butyl-5-(hydroxymethyl)-5-methyl-1,3-dioxane-4,6-dione
CID 141236108
2-tert-butyl-1,3-dioxaspiro[4.5]dec-7-en-4-one
CID 10608514
2-tert-butyl-5,5,6-trimethyl-1,3-dioxan-4-one
CID 550947
(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
6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
CID 138967150
(4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-one
CID 101211008
5-(1-iodoethyl)-4,4-dimethyloxolan-2-one
CID 71405328
(2R,3R,4R,6R)-6-tert-butyl-2,4-dimethyl-5,7-dioxaspiro[2.5]octan-8-one
CID 15362395
7-hydroxy-5-methyl-2-oxabicyclo[3.2.2]nonan-3-one
CID 130144142

Frequently Asked Questions

What is the IUPAC name of (2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one?
The IUPAC name of (2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one (CID 14114159) is (2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one.
What is the SMILES notation for (2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one?
The canonical SMILES for (2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one is CC1(C)CC(=O)O[C@H](C(C)(C)C)O1.
What is the InChIKey of (2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one?
The InChIKey is ULAREYUOECVIHI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H18O3/c1-9(2,3)8-12-7(11)6-10(4,5)13-8/h8H,6H2,1-5H3/t8-/m0/s1.
What are the key properties of (2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one?
(2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one has a molecular weight of 186.25 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-tert-butyl-6,6-dimethyl-1,3-dioxan-4-one is sourced from PubChem (CID 14114159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).