dipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate

C17H22O7 — CID 71591981

IUPACdipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCC(C)OC(=O)[C@@H]1OC(c2ccccc2O)O[C@H]1C(=O)OC(C)C
InChIInChI=1S/C17H22O7/c1-9(2)21-15(19)13-14(16(20)22-10(3)4)24-17(23-13)11-7-5-6-8-12(11)18/h5-10,13-14,17-18H,1-4H3/t13-,14-/m1/s1
InChIKeyRTGJXYQYUZAYOD-ZIAGYGMSSA-N
MW338.36 g/mol
LogP2.08
Rot. Bonds5

About dipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate

dipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate (PubChem CID 71591981) has the molecular formula C17H22O7 and a molecular weight of 338.36 g/mol. Its IUPAC name is dipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate.

Molecular Properties

Compound Namedipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate
PubChem CID71591981
Molecular FormulaC17H22O7
Molecular Weight338.36 g/mol
Exact Mass338.14
IUPAC Namedipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate
SMILESCC(C)OC(=O)[C@@H]1OC(c2ccccc2O)O[C@H]1C(=O)OC(C)C
InChIInChI=1S/C17H22O7/c1-9(2)21-15(19)13-14(16(20)22-10(3)4)24-17(23-13)11-7-5-6-8-12(11)18/h5-10,13-14,17-18H,1-4H3/t13-,14-/m1/s1
InChIKeyRTGJXYQYUZAYOD-ZIAGYGMSSA-N
XLogP2.08
TPSA91.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 496418
CID 496418
CID 719737
CID 719737
CID 101109349
CID 101109349
CID 719735
CID 719735
CID 11748463
CID 11748463
CID 12590436
CID 12590436
CID 570484
CID 570484
CID 71591982
CID 71591982
CID 71591990
CID 71591990
CID 71591991
CID 71591991
CID 71592034
CID 71592034
CID 71592035
CID 71592035

Frequently Asked Questions

What is the IUPAC name of dipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
The IUPAC name of dipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate (CID 71591981) is dipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate.
What is the SMILES notation for dipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
The canonical SMILES for dipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate is CC(C)OC(=O)[C@@H]1OC(c2ccccc2O)O[C@H]1C(=O)OC(C)C.
What is the InChIKey of dipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
The InChIKey is RTGJXYQYUZAYOD-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H22O7/c1-9(2)21-15(19)13-14(16(20)22-10(3)4)24-17(23-13)11-7-5-6-8-12(11)18/h5-10,13-14,17-18H,1-4H3/t13-,14-/m1/s1.
What are the key properties of dipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate?
dipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate has a molecular weight of 338.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dipropan-2-yl (4R,5R)-2-(2-hydroxyphenyl)-1,3-dioxolane-4,5-dicarboxylate is sourced from PubChem (CID 71591981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).