dibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate

C20H38O6 — CID 139989271

IUPACdibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate
SMILESCCOC(CC)(C(=O)OC(C)CC)C(CC)(OCC)C(=O)OC(C)CC
InChIInChI=1S/C20H38O6/c1-9-15(7)25-17(21)19(11-3,23-13-5)20(12-4,24-14-6)18(22)26-16(8)10-2/h15-16H,9-14H2,1-8H3
InChIKeyQYPPPNDXDXFSLL-UHFFFAOYSA-N
MW374.52 g/mol
LogP4.04
Rot. Bonds13

About dibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate

dibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate (PubChem CID 139989271) has the molecular formula C20H38O6 and a molecular weight of 374.52 g/mol. Its IUPAC name is dibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate.

Molecular Properties

Compound Namedibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate
PubChem CID139989271
Molecular FormulaC20H38O6
Molecular Weight374.52 g/mol
Exact Mass374.27
IUPAC Namedibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate
SMILESCCOC(CC)(C(=O)OC(C)CC)C(CC)(OCC)C(=O)OC(C)CC
InChIInChI=1S/C20H38O6/c1-9-15(7)25-17(21)19(11-3,23-13-5)20(12-4,24-14-6)18(22)26-16(8)10-2/h15-16H,9-14H2,1-8H3
InChIKeyQYPPPNDXDXFSLL-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

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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 dibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate?
The IUPAC name of dibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate (CID 139989271) is dibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate.
What is the SMILES notation for dibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate?
The canonical SMILES for dibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate is CCOC(CC)(C(=O)OC(C)CC)C(CC)(OCC)C(=O)OC(C)CC.
What is the InChIKey of dibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate?
The InChIKey is QYPPPNDXDXFSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O6/c1-9-15(7)25-17(21)19(11-3,23-13-5)20(12-4,24-14-6)18(22)26-16(8)10-2/h15-16H,9-14H2,1-8H3.
What are the key properties of dibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate?
dibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate 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 dibutan-2-yl 2,3-diethoxy-2,3-diethylbutanedioate is sourced from PubChem (CID 139989271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).