dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate

C26H34O6 — CID 139989411

IUPACdipropyl 2,3-diethyl-2,3-diphenoxybutanedioate
SMILESCCCOC(=O)C(CC)(Oc1ccccc1)C(CC)(Oc1ccccc1)C(=O)OCCC
InChIInChI=1S/C26H34O6/c1-5-19-29-23(27)25(7-3,31-21-15-11-9-12-16-21)26(8-4,24(28)30-20-6-2)32-22-17-13-10-14-18-22/h9-18H,5-8,19-20H2,1-4H3
InChIKeyRLVGFDISKGBSRK-UHFFFAOYSA-N
MW442.55 g/mol
LogP5.35
Rot. Bonds13

About dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate

dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate (PubChem CID 139989411) has the molecular formula C26H34O6 and a molecular weight of 442.55 g/mol. Its IUPAC name is dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate.

Molecular Properties

Compound Namedipropyl 2,3-diethyl-2,3-diphenoxybutanedioate
PubChem CID139989411
Molecular FormulaC26H34O6
Molecular Weight442.55 g/mol
Exact Mass442.24
IUPAC Namedipropyl 2,3-diethyl-2,3-diphenoxybutanedioate
SMILESCCCOC(=O)C(CC)(Oc1ccccc1)C(CC)(Oc1ccccc1)C(=O)OCCC
InChIInChI=1S/C26H34O6/c1-5-19-29-23(27)25(7-3,31-21-15-11-9-12-16-21)26(8-4,24(28)30-20-6-2)32-22-17-13-10-14-18-22/h9-18H,5-8,19-20H2,1-4H3
InChIKeyRLVGFDISKGBSRK-UHFFFAOYSA-N
XLogP5.35
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.55
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

dipentyl 2,3-diethyl-2,3-diphenoxybutanedioate
CID 139989450
dibutan-2-yl 2,3-diethyl-2,3-diphenoxybutanedioate
CID 139989393
2,2-diphenoxybutanoic acid
CID 159827255
3,3-dichloro-4-oxo-2-phenoxy-4-propoxybutanoic acid
CID 70292120
propyl N-(1,1,1,3,3,3-hexafluoro-2-phenoxypropan-2-yl)carbamate
CID 23238709
propyl 3-phenoxypropanoate
CID 43389568
triphenyl(propoxycarbonyl)phosphanium
CID 155678624
2-phenoxy-2-propoxyhexadecanoic acid
CID 175401556
triphenyl(propoxycarbonyl)phosphanium bromide
CID 159232069
hydroxy-oxo-(1-oxo-2-phenyl-1-propoxypropan-2-yl)phosphanium
CID 70150123
ethyl 2-phenoxy-2,2-diphenylacetate
CID 134961459
1-O-(1-phenylpropyl) 3-O-propyl 2,2-diethylpropanedioate
CID 91722995

Frequently Asked Questions

What is the IUPAC name of dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate?
The IUPAC name of dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate (CID 139989411) is dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate.
What is the SMILES notation for dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate?
The canonical SMILES for dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate is CCCOC(=O)C(CC)(Oc1ccccc1)C(CC)(Oc1ccccc1)C(=O)OCCC.
What is the InChIKey of dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate?
The InChIKey is RLVGFDISKGBSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34O6/c1-5-19-29-23(27)25(7-3,31-21-15-11-9-12-16-21)26(8-4,24(28)30-20-6-2)32-22-17-13-10-14-18-22/h9-18H,5-8,19-20H2,1-4H3.
What are the key properties of dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate?
dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate has a molecular weight of 442.55 g/mol, XLogP of 5.35, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2,3-diethyl-2,3-diphenoxybutanedioate is sourced from PubChem (CID 139989411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).