(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde

C14H18O4 — CID 11128721

IUPAC(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde
SMILESCC1(C)OC[C@H]([C@H](C=O)OCc2ccccc2)O1
InChIInChI=1S/C14H18O4/c1-14(2)17-10-13(18-14)12(8-15)16-9-11-6-4-3-5-7-11/h3-8,12-13H,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyMFIFPWKJAXINAJ-QWHCGFSZSA-N
MW250.29 g/mol
LogP1.92
Rot. Bonds5

About (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde

(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde (PubChem CID 11128721) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde.

Molecular Properties

Compound Name(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde
PubChem CID11128721
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde
SMILESCC1(C)OC[C@H]([C@H](C=O)OCc2ccccc2)O1
InChIInChI=1S/C14H18O4/c1-14(2)17-10-13(18-14)12(8-15)16-9-11-6-4-3-5-7-11/h3-8,12-13H,9-10H2,1-2H3/t12-,13+/m0/s1
InChIKeyMFIFPWKJAXINAJ-QWHCGFSZSA-N
XLogP1.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.92
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 (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde?
The IUPAC name of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde (CID 11128721) is (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde.
What is the SMILES notation for (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde?
The canonical SMILES for (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde is CC1(C)OC[C@H]([C@H](C=O)OCc2ccccc2)O1.
What is the InChIKey of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde?
The InChIKey is MFIFPWKJAXINAJ-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H18O4/c1-14(2)17-10-13(18-14)12(8-15)16-9-11-6-4-3-5-7-11/h3-8,12-13H,9-10H2,1-2H3/t12-,13+/m0/s1.
What are the key properties of (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde?
(2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde has a molecular weight of 250.29 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-phenylmethoxyacetaldehyde is sourced from PubChem (CID 11128721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).