(4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde

C12H12O5 — CID 11791176

IUPAC(4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde
SMILESCOc1ccc(C2O[C@@H](C=O)[C@H](C=O)O2)cc1
InChIInChI=1S/C12H12O5/c1-15-9-4-2-8(3-5-9)12-16-10(6-13)11(7-14)17-12/h2-7,10-12H,1H3/t10-,11-/m0/s1
InChIKeyKVRGWTBYBAJMKS-QWRGUYRKSA-N
MW236.22 g/mol
LogP0.88
Rot. Bonds4

About (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde

(4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde (PubChem CID 11791176) has the molecular formula C12H12O5 and a molecular weight of 236.22 g/mol. Its IUPAC name is (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde.

Molecular Properties

Compound Name(4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde
PubChem CID11791176
Molecular FormulaC12H12O5
Molecular Weight236.22 g/mol
Exact Mass236.07
IUPAC Name(4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde
SMILESCOc1ccc(C2O[C@@H](C=O)[C@H](C=O)O2)cc1
InChIInChI=1S/C12H12O5/c1-15-9-4-2-8(3-5-9)12-16-10(6-13)11(7-14)17-12/h2-7,10-12H,1H3/t10-,11-/m0/s1
InChIKeyKVRGWTBYBAJMKS-QWRGUYRKSA-N
XLogP0.88
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 50.88
H-Bond Donors ≤ 50
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 (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde?
The IUPAC name of (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde (CID 11791176) is (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde.
What is the SMILES notation for (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde?
The canonical SMILES for (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde is COc1ccc(C2O[C@@H](C=O)[C@H](C=O)O2)cc1.
What is the InChIKey of (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde?
The InChIKey is KVRGWTBYBAJMKS-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H12O5/c1-15-9-4-2-8(3-5-9)12-16-10(6-13)11(7-14)17-12/h2-7,10-12H,1H3/t10-,11-/m0/s1.
What are the key properties of (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde?
(4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde has a molecular weight of 236.22 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2-(4-methoxyphenyl)-1,3-dioxolane-4,5-dicarbaldehyde is sourced from PubChem (CID 11791176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).