(4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane

C21H26O4 — CID 6991727

IUPAC(4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane
SMILESCC1(C)O[C@H](COCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C21H26O4/c1-21(2)24-19(15-22-13-17-9-5-3-6-10-17)20(25-21)16-23-14-18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m1/s1
InChIKeyCZZOKIBEPTVWIX-WOJBJXKFSA-N
MW342.44 g/mol
LogP3.94
Rot. Bonds8

About (4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane

(4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane (PubChem CID 6991727) has the molecular formula C21H26O4 and a molecular weight of 342.44 g/mol. Its IUPAC name is (4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane
PubChem CID6991727
Molecular FormulaC21H26O4
Molecular Weight342.44 g/mol
Exact Mass342.18
IUPAC Name(4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane
SMILESCC1(C)O[C@H](COCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C21H26O4/c1-21(2)24-19(15-22-13-17-9-5-3-6-10-17)20(25-21)16-23-14-18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m1/s1
InChIKeyCZZOKIBEPTVWIX-WOJBJXKFSA-N
XLogP3.94
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane?
The IUPAC name of (4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane (CID 6991727) is (4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane?
The canonical SMILES for (4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane is CC1(C)O[C@H](COCc2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane?
The InChIKey is CZZOKIBEPTVWIX-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H26O4/c1-21(2)24-19(15-22-13-17-9-5-3-6-10-17)20(25-21)16-23-14-18-11-7-4-8-12-18/h3-12,19-20H,13-16H2,1-2H3/t19-,20-/m1/s1.
What are the key properties of (4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane?
(4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane has a molecular weight of 342.44 g/mol, XLogP of 3.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2-dimethyl-4,5-bis(phenylmethoxymethyl)-1,3-dioxolane is sourced from PubChem (CID 6991727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).