(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol

C11H20O5 — CID 102044354

IUPAC(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol
SMILESCC1(C)OC[C@H](C[C@@](C)(O)[C@H]2O[C@@H]2CO)O1
InChIInChI=1S/C11H20O5/c1-10(2)14-6-7(16-10)4-11(3,13)9-8(5-12)15-9/h7-9,12-13H,4-6H2,1-3H3/t7-,8+,9-,11+/m0/s1
InChIKeyFYQJZZOMGHTZQF-QCBRBAQYSA-N
MW232.28 g/mol
LogP0.04
Rot. Bonds4

About (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol

(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol (PubChem CID 102044354) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol
PubChem CID102044354
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol
SMILESCC1(C)OC[C@H](C[C@@](C)(O)[C@H]2O[C@@H]2CO)O1
InChIInChI=1S/C11H20O5/c1-10(2)14-6-7(16-10)4-11(3,13)9-8(5-12)15-9/h7-9,12-13H,4-6H2,1-3H3/t7-,8+,9-,11+/m0/s1
InChIKeyFYQJZZOMGHTZQF-QCBRBAQYSA-N
XLogP0.04
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol with MolForge

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Related Compounds

[(2S,3R)-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]oxiran-2-yl]methanol
CID 131019543
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]hydroxylamine
CID 23541087
4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-2,2-dimethyl-1,3-dioxolane
CID 58862633
(2,2-dimethyl-1,3-dioxolan-4-yl)methanol;1,3-dioxolane
CID 67855478
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800
2,2-dimethyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
CID 11045884
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
[5-[5-[5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]pentyl]oxolan-2-yl]oxolan-2-yl]methanol
CID 132528973
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;hydrochloride
CID 21466688
CID 59269279
CID 59269279
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]thiohydroxylamine
CID 59058282
(4R)-4-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyltellanylmethyl]-2,2-dimethyl-1,3-dioxolane
CID 132519104

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol?
The IUPAC name of (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol (CID 102044354) is (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol is CC1(C)OC[C@H](C[C@@](C)(O)[C@H]2O[C@@H]2CO)O1.
What is the InChIKey of (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol?
The InChIKey is FYQJZZOMGHTZQF-QCBRBAQYSA-N. The full InChI is InChI=1S/C11H20O5/c1-10(2)14-6-7(16-10)4-11(3,13)9-8(5-12)15-9/h7-9,12-13H,4-6H2,1-3H3/t7-,8+,9-,11+/m0/s1.
What are the key properties of (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol?
(2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol has a molecular weight of 232.28 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2S,3R)-3-(hydroxymethyl)oxiran-2-yl]propan-2-ol is sourced from PubChem (CID 102044354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).