dipropyl 2,3-dimethoxybutanedioate

C12H22O6 — CID 139989452

IUPACdipropyl 2,3-dimethoxybutanedioate
SMILESCCCOC(=O)C(OC)C(OC)C(=O)OCCC
InChIInChI=1S/C12H22O6/c1-5-7-17-11(13)9(15-3)10(16-4)12(14)18-8-6-2/h9-10H,5-8H2,1-4H3
InChIKeyLUYBLIKSFYZFMN-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.92
Rot. Bonds9

About dipropyl 2,3-dimethoxybutanedioate

dipropyl 2,3-dimethoxybutanedioate (PubChem CID 139989452) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is dipropyl 2,3-dimethoxybutanedioate.

Molecular Properties

Compound Namedipropyl 2,3-dimethoxybutanedioate
PubChem CID139989452
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Namedipropyl 2,3-dimethoxybutanedioate
SMILESCCCOC(=O)C(OC)C(OC)C(=O)OCCC
InChIInChI=1S/C12H22O6/c1-5-7-17-11(13)9(15-3)10(16-4)12(14)18-8-6-2/h9-10H,5-8H2,1-4H3
InChIKeyLUYBLIKSFYZFMN-UHFFFAOYSA-N
XLogP0.92
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 2-ethoxy-2-methoxyacetate
CID 139936525
dipropyl 2,3-diiodobutanedioate
CID 87640369
propyl (2S)-2-chloropropanoate
CID 40565872
propyl (2R)-2-methylbutanoate
CID 86306230
1-O-butyl 3-O-propyl 2-ethylpropanedioate
CID 175092181
ethyl 3,3-diethoxy-2-methoxypropanoate
CID 21412310
dimethyl (2S,3R,4S,5R)-2,3,4,5-tetramethoxyhexanedioate
CID 59866878
propyl (2S,3R)-3-hydroxy-2-methylbutanoate
CID 57018774
propyl (2R)-2-amino-3-hydroxypropanoate
CID 55281348
propyl 2-amino-3-oxobutanoate
CID 174900765
CID 175808043
CID 175808043
1-methoxypropane;methyl propyl carbonate
CID 159112216

Frequently Asked Questions

What is the IUPAC name of dipropyl 2,3-dimethoxybutanedioate?
The IUPAC name of dipropyl 2,3-dimethoxybutanedioate (CID 139989452) is dipropyl 2,3-dimethoxybutanedioate.
What is the SMILES notation for dipropyl 2,3-dimethoxybutanedioate?
The canonical SMILES for dipropyl 2,3-dimethoxybutanedioate is CCCOC(=O)C(OC)C(OC)C(=O)OCCC.
What is the InChIKey of dipropyl 2,3-dimethoxybutanedioate?
The InChIKey is LUYBLIKSFYZFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6/c1-5-7-17-11(13)9(15-3)10(16-4)12(14)18-8-6-2/h9-10H,5-8H2,1-4H3.
What are the key properties of dipropyl 2,3-dimethoxybutanedioate?
dipropyl 2,3-dimethoxybutanedioate has a molecular weight of 262.30 g/mol, XLogP of 0.92, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 2,3-dimethoxybutanedioate is sourced from PubChem (CID 139989452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).