dipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate

C20H38O6 — CID 139989233

IUPACdipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate
SMILESCCCOC(=O)C(CC)(OC(C)C)C(CC)(OC(C)C)C(=O)OCCC
InChIInChI=1S/C20H38O6/c1-9-13-23-17(21)19(11-3,25-15(5)6)20(12-4,26-16(7)8)18(22)24-14-10-2/h15-16H,9-14H2,1-8H3
InChIKeyKCJIXGPWGURQJP-UHFFFAOYSA-N
MW374.52 g/mol
LogP4.04
Rot. Bonds13

About dipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate

dipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate (PubChem CID 139989233) has the molecular formula C20H38O6 and a molecular weight of 374.52 g/mol. Its IUPAC name is dipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate.

Molecular Properties

Compound Namedipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate
PubChem CID139989233
Molecular FormulaC20H38O6
Molecular Weight374.52 g/mol
Exact Mass374.27
IUPAC Namedipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate
SMILESCCCOC(=O)C(CC)(OC(C)C)C(CC)(OC(C)C)C(=O)OCCC
InChIInChI=1S/C20H38O6/c1-9-13-23-17(21)19(11-3,25-15(5)6)20(12-4,26-16(7)8)18(22)24-14-10-2/h15-16H,9-14H2,1-8H3
InChIKeyKCJIXGPWGURQJP-UHFFFAOYSA-N
XLogP4.04
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.52
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tri-n-hexyl O-n-butylcitrate
CID 23728886
tert-butyl (2R,3S)-3-isopropyl-4-oxooxetane-2-carboxylate
CID 168962003
1,1-Dimethylethyl (2R,3S)-3-((1S)-1-methylpropyl)-4-oxo-2-oxetanecarboxylate
CID 11333649
2-Acetoxy-butanedioic acid bis-(2-ethyl-hexyl) ester
CID 129658393
Dimethyl 4,4-dimethyloxetane-2,3-dicarboxylate
CID 146166300
(2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid
CID 7567742
(2R)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid
CID 7567746
Aluminum tris(2-propan-2-yloxy-2-(2-propan-2-yloxyacetyl)pentanoate)
CID 22102129
Diethyl 2-ethoxy-2-ethylbutanedioate
CID 22234912
2,3-Di(propan-2-yl)-2,3-di(propan-2-yloxy)butanedioic acid
CID 22988674
2-Propan-2-yl-2-propan-2-yloxybutanedioic acid
CID 53773950
Tris(2-ethoxyhexyl) 2-acetyloxypropane-1,2,3-tricarboxylate
CID 54558277

Frequently Asked Questions

What is the IUPAC name of dipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate?
The IUPAC name of dipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate (CID 139989233) is dipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate.
What is the SMILES notation for dipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate?
The canonical SMILES for dipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate is CCCOC(=O)C(CC)(OC(C)C)C(CC)(OC(C)C)C(=O)OCCC.
What is the InChIKey of dipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate?
The InChIKey is KCJIXGPWGURQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O6/c1-9-13-23-17(21)19(11-3,25-15(5)6)20(12-4,26-16(7)8)18(22)24-14-10-2/h15-16H,9-14H2,1-8H3.
What are the key properties of dipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate?
dipropyl 2,3-diethyl-2,3-di(propan-2-yloxy)butanedioate has a molecular weight of 374.52 g/mol, XLogP of 4.04, 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-di(propan-2-yloxy)butanedioate is sourced from PubChem (CID 139989233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).