(2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one

C11H20O3 — CID 11446973

IUPAC(2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one
SMILESCC(C)[C@]1(C)O[C@H](C(C)(C)C)OC1=O
InChIInChI=1S/C11H20O3/c1-7(2)11(6)8(12)13-9(14-11)10(3,4)5/h7,9H,1-6H3/t9-,11+/m1/s1
InChIKeyZVXBMXHTGFYNSO-KOLCDFICSA-N
MW200.28 g/mol
LogP2.35
Rot. Bonds1

About (2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one

(2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one (PubChem CID 11446973) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one
PubChem CID11446973
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name(2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one
SMILESCC(C)[C@]1(C)O[C@H](C(C)(C)C)OC1=O
InChIInChI=1S/C11H20O3/c1-7(2)11(6)8(12)13-9(14-11)10(3,4)5/h7,9H,1-6H3/t9-,11+/m1/s1
InChIKeyZVXBMXHTGFYNSO-KOLCDFICSA-N
XLogP2.35
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one?
The IUPAC name of (2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one (CID 11446973) is (2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one.
What is the SMILES notation for (2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one?
The canonical SMILES for (2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one is CC(C)[C@]1(C)O[C@H](C(C)(C)C)OC1=O.
What is the InChIKey of (2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one?
The InChIKey is ZVXBMXHTGFYNSO-KOLCDFICSA-N. The full InChI is InChI=1S/C11H20O3/c1-7(2)11(6)8(12)13-9(14-11)10(3,4)5/h7,9H,1-6H3/t9-,11+/m1/s1.
What are the key properties of (2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one?
(2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one has a molecular weight of 200.28 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-tert-butyl-5-methyl-5-propan-2-yl-1,3-dioxolan-4-one is sourced from PubChem (CID 11446973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).