(2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde

C7H12O4 — CID 154729224

IUPAC(2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde
SMILESCO[C@H]1[C@@H](C=O)OC[C@H]1OC
InChIInChI=1S/C7H12O4/c1-9-6-4-11-5(3-8)7(6)10-2/h3,5-7H,4H2,1-2H3/t5-,6-,7+/m1/s1
InChIKeyJBUZIWJXAHCNEU-QYNIQEEDSA-N
MW160.17 g/mol
LogP-0.39
Rot. Bonds3

About (2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde

(2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde (PubChem CID 154729224) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde.

Molecular Properties

Compound Name(2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde
PubChem CID154729224
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name(2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde
SMILESCO[C@H]1[C@@H](C=O)OC[C@H]1OC
InChIInChI=1S/C7H12O4/c1-9-6-4-11-5(3-8)7(6)10-2/h3,5-7H,4H2,1-2H3/t5-,6-,7+/m1/s1
InChIKeyJBUZIWJXAHCNEU-QYNIQEEDSA-N
XLogP-0.39
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde?
The IUPAC name of (2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde (CID 154729224) is (2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde.
What is the SMILES notation for (2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde?
The canonical SMILES for (2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde is CO[C@H]1[C@@H](C=O)OC[C@H]1OC.
What is the InChIKey of (2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde?
The InChIKey is JBUZIWJXAHCNEU-QYNIQEEDSA-N. The full InChI is InChI=1S/C7H12O4/c1-9-6-4-11-5(3-8)7(6)10-2/h3,5-7H,4H2,1-2H3/t5-,6-,7+/m1/s1.
What are the key properties of (2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde?
(2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde has a molecular weight of 160.17 g/mol, XLogP of -0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-3,4-dimethoxyoxolane-2-carbaldehyde is sourced from PubChem (CID 154729224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).