(2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal

C11H20O5 — CID 135009767

IUPAC(2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal
SMILESCC(C)O[C@@H](C=O)[C@@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O5/c1-7(2)15-8(5-12)10(13)9-6-14-11(3,4)16-9/h5,7-10,13H,6H2,1-4H3/t8-,9+,10+/m0/s1
InChIKeyLXQQSMZJPJLLBX-IVZWLZJFSA-N
MW232.28 g/mol
LogP0.49
Rot. Bonds5

About (2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal

(2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal (PubChem CID 135009767) has the molecular formula C11H20O5 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal.

Molecular Properties

Compound Name(2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal
PubChem CID135009767
Molecular FormulaC11H20O5
Molecular Weight232.28 g/mol
Exact Mass232.13
IUPAC Name(2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal
SMILESCC(C)O[C@@H](C=O)[C@@H](O)[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O5/c1-7(2)15-8(5-12)10(13)9-6-14-11(3,4)16-9/h5,7-10,13H,6H2,1-4H3/t8-,9+,10+/m0/s1
InChIKeyLXQQSMZJPJLLBX-IVZWLZJFSA-N
XLogP0.49
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal?
The IUPAC name of (2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal (CID 135009767) is (2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal.
What is the SMILES notation for (2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal?
The canonical SMILES for (2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal is CC(C)O[C@@H](C=O)[C@@H](O)[C@H]1COC(C)(C)O1.
What is the InChIKey of (2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal?
The InChIKey is LXQQSMZJPJLLBX-IVZWLZJFSA-N. The full InChI is InChI=1S/C11H20O5/c1-7(2)15-8(5-12)10(13)9-6-14-11(3,4)16-9/h5,7-10,13H,6H2,1-4H3/t8-,9+,10+/m0/s1.
What are the key properties of (2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal?
(2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal has a molecular weight of 232.28 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2-propan-2-yloxypropanal is sourced from PubChem (CID 135009767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).