(4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one

C10H18O3 — CID 89206790

IUPAC(4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one
SMILESCC[C@@]1(C)OC(=O)OC1C(C)(C)C
InChIInChI=1S/C10H18O3/c1-6-10(5)7(9(2,3)4)12-8(11)13-10/h7H,6H2,1-5H3/t7?,10-/m1/s1
InChIKeyCYBBKTAQWSBCEZ-OMNKOJBGSA-N
MW186.25 g/mol
LogP2.74
Rot. Bonds1

About (4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one

(4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one (PubChem CID 89206790) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is (4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name(4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one
PubChem CID89206790
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name(4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one
SMILESCC[C@@]1(C)OC(=O)OC1C(C)(C)C
InChIInChI=1S/C10H18O3/c1-6-10(5)7(9(2,3)4)12-8(11)13-10/h7H,6H2,1-5H3/t7?,10-/m1/s1
InChIKeyCYBBKTAQWSBCEZ-OMNKOJBGSA-N
XLogP2.74
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-tert-butyl-3-chloro-3-methyloxetan-2-one
CID 10654873
(3R,4R)-3-chloro-4-ethyl-4-methyloxetan-2-one
CID 130935409
(2R,4R)-2-[(5R)-5-ethyl-5-methyl-2-oxo-1,3-dioxolan-4-yl]-6-methoxy-4,6,10-trimethyltridecane-3,11-dione
CID 143325192
5-ethyl-1,3,6,8-tetraoxaspiro[3.4]octane-2,7-dione
CID 154679095
(4S,5R)-4,5-ditert-butyl-1,3-dioxolan-2-one
CID 58446547
6-tert-butyl-5,5-dimethylmorpholin-3-one
CID 121207446
(4S,5R,6S)-5-hydroxy-4,6-dimethyl-4-prop-2-enyl-1,3-dioxan-2-one
CID 130831875
4-tert-butyl-5-(2-methylbutan-2-yl)-1,3-dioxolan-2-one
CID 130249068
3,3-dimethyl-5-(trifluoromethyl)oxolan-2-one
CID 11095248
(5R,9R)-8,9-ditert-butyl-9-methyl-1-oxaspiro[4.4]nonan-2-one
CID 58756631
6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
CID 138967150
(3S)-3-ethyl-3-methyloxetan-2-one
CID 102402061

Frequently Asked Questions

What is the IUPAC name of (4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one?
The IUPAC name of (4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one (CID 89206790) is (4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one.
What is the SMILES notation for (4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one?
The canonical SMILES for (4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one is CC[C@@]1(C)OC(=O)OC1C(C)(C)C.
What is the InChIKey of (4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one?
The InChIKey is CYBBKTAQWSBCEZ-OMNKOJBGSA-N. The full InChI is InChI=1S/C10H18O3/c1-6-10(5)7(9(2,3)4)12-8(11)13-10/h7H,6H2,1-5H3/t7?,10-/m1/s1.
What are the key properties of (4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one?
(4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one has a molecular weight of 186.25 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-tert-butyl-4-ethyl-4-methyl-1,3-dioxolan-2-one is sourced from PubChem (CID 89206790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).