(3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one

C22H26O6 — CID 72707434

IUPAC(3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one
SMILESCOc1ccc(C2(c3ccc(OC)c(OC)c3)OC(=O)[C@H](C)[C@H]2C)cc1OC
InChIInChI=1S/C22H26O6/c1-13-14(2)22(28-21(13)23,15-7-9-17(24-3)19(11-15)26-5)16-8-10-18(25-4)20(12-16)27-6/h7-14H,1-6H3/t13-,14-/m1/s1
InChIKeyVIZKKTSPRHXKQA-ZIAGYGMSSA-N
MW386.44 g/mol
LogP3.79
Rot. Bonds6

About (3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one

(3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one (PubChem CID 72707434) has the molecular formula C22H26O6 and a molecular weight of 386.44 g/mol. Its IUPAC name is (3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one
PubChem CID72707434
Molecular FormulaC22H26O6
Molecular Weight386.44 g/mol
Exact Mass386.17
IUPAC Name(3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one
SMILESCOc1ccc(C2(c3ccc(OC)c(OC)c3)OC(=O)[C@H](C)[C@H]2C)cc1OC
InChIInChI=1S/C22H26O6/c1-13-14(2)22(28-21(13)23,15-7-9-17(24-3)19(11-15)26-5)16-8-10-18(25-4)20(12-16)27-6/h7-14H,1-6H3/t13-,14-/m1/s1
InChIKeyVIZKKTSPRHXKQA-ZIAGYGMSSA-N
XLogP3.79
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 86045599
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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one?
The IUPAC name of (3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one (CID 72707434) is (3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one.
What is the SMILES notation for (3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one?
The canonical SMILES for (3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one is COc1ccc(C2(c3ccc(OC)c(OC)c3)OC(=O)[C@H](C)[C@H]2C)cc1OC.
What is the InChIKey of (3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one?
The InChIKey is VIZKKTSPRHXKQA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C22H26O6/c1-13-14(2)22(28-21(13)23,15-7-9-17(24-3)19(11-15)26-5)16-8-10-18(25-4)20(12-16)27-6/h7-14H,1-6H3/t13-,14-/m1/s1.
What are the key properties of (3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one?
(3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one has a molecular weight of 386.44 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-5,5-bis(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-one is sourced from PubChem (CID 72707434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).