dipropyl 2,3-diethyl-2,3-dimethoxybutanedioate

C16H30O6 — CID 139989257

IUPACdipropyl 2,3-diethyl-2,3-dimethoxybutanedioate
SMILESCCCOC(=O)C(CC)(OC)C(CC)(OC)C(=O)OCCC
InChIInChI=1S/C16H30O6/c1-7-11-21-13(17)15(9-3,19-5)16(10-4,20-6)14(18)22-12-8-2/h7-12H2,1-6H3
InChIKeyQHUYCDBHAZXVHO-UHFFFAOYSA-N
MW318.41 g/mol
LogP2.48
Rot. Bonds11

About dipropyl 2,3-diethyl-2,3-dimethoxybutanedioate

dipropyl 2,3-diethyl-2,3-dimethoxybutanedioate (PubChem CID 139989257) has the molecular formula C16H30O6 and a molecular weight of 318.41 g/mol. Its IUPAC name is dipropyl 2,3-diethyl-2,3-dimethoxybutanedioate.

Molecular Properties

Compound Namedipropyl 2,3-diethyl-2,3-dimethoxybutanedioate
PubChem CID139989257
Molecular FormulaC16H30O6
Molecular Weight318.41 g/mol
Exact Mass318.20
IUPAC Namedipropyl 2,3-diethyl-2,3-dimethoxybutanedioate
SMILESCCCOC(=O)C(CC)(OC)C(CC)(OC)C(=O)OCCC
InChIInChI=1S/C16H30O6/c1-7-11-21-13(17)15(9-3,19-5)16(10-4,20-6)14(18)22-12-8-2/h7-12H2,1-6H3
InChIKeyQHUYCDBHAZXVHO-UHFFFAOYSA-N
XLogP2.48
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Tripropyl 2-(acetyloxy)propane-1,2,3-tricarboxylate
CID 222554
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
ethyl (2R)-4-oxo-2-propan-2-yloxetane-2-carboxylate
CID 101150299
2-Acetoxy-butanedioic acid bis-(2-ethyl-hexyl) ester
CID 129658393
Dimethyl 4,4-dimethyloxetane-2,3-dicarboxylate
CID 146166300
Ethyl 3,3-dimethyl-2-propyloxirane-2-carboxylate
CID 228841
1-Butyl 2,3-diethyl 2-(propanoyloxy)propane-1,2,3-tricarboxylate
CID 71368928
(2S)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid
CID 7567742
(2R)-2-propan-2-yl-2-propan-2-yloxybutanedioic acid
CID 7567746
Tripropyl 2-propanoyloxypropane-1,2,3-tricarboxylate
CID 14718311

Frequently Asked Questions

What is the IUPAC name of dipropyl 2,3-diethyl-2,3-dimethoxybutanedioate?
The IUPAC name of dipropyl 2,3-diethyl-2,3-dimethoxybutanedioate (CID 139989257) is dipropyl 2,3-diethyl-2,3-dimethoxybutanedioate.
What is the SMILES notation for dipropyl 2,3-diethyl-2,3-dimethoxybutanedioate?
The canonical SMILES for dipropyl 2,3-diethyl-2,3-dimethoxybutanedioate is CCCOC(=O)C(CC)(OC)C(CC)(OC)C(=O)OCCC.
What is the InChIKey of dipropyl 2,3-diethyl-2,3-dimethoxybutanedioate?
The InChIKey is QHUYCDBHAZXVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O6/c1-7-11-21-13(17)15(9-3,19-5)16(10-4,20-6)14(18)22-12-8-2/h7-12H2,1-6H3.
What are the key properties of dipropyl 2,3-diethyl-2,3-dimethoxybutanedioate?
dipropyl 2,3-diethyl-2,3-dimethoxybutanedioate has a molecular weight of 318.41 g/mol, XLogP of 2.48, 11 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-dimethoxybutanedioate is sourced from PubChem (CID 139989257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).