bis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate

C20H38O4 — CID 141062839

IUPACbis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate
SMILESCCCC(C(=O)OCC(C)(C)C)C(CCC)C(=O)OCC(C)(C)C
InChIInChI=1S/C20H38O4/c1-9-11-15(17(21)23-13-19(3,4)5)16(12-10-2)18(22)24-14-20(6,7)8/h15-16H,9-14H2,1-8H3
InChIKeySUJJHMQNSCYGOB-UHFFFAOYSA-N
MW342.52 g/mol
LogP5.00
Rot. Bonds9

About bis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate

bis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate (PubChem CID 141062839) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is bis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate.

Molecular Properties

Compound Namebis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate
PubChem CID141062839
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Namebis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate
SMILESCCCC(C(=O)OCC(C)(C)C)C(CCC)C(=O)OCC(C)(C)C
InChIInChI=1S/C20H38O4/c1-9-11-15(17(21)23-13-19(3,4)5)16(12-10-2)18(22)24-14-20(6,7)8/h15-16H,9-14H2,1-8H3
InChIKeySUJJHMQNSCYGOB-UHFFFAOYSA-N
XLogP5.00
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

bis(2,2-dimethylpropyl) 2-(cyclohexylmethyl)-3-propylbutanedioate
CID 22241893
bis(2,2-dimethylpropyl) 2,3-bis(3-methylbutyl)butanedioate
CID 22241845
3-(2,2-dimethylpropoxycarbonyl)-6-methyl-2-(3-methylbutyl)heptanoic acid
CID 151822493
bis(2,2-dimethylpropyl) 2,3-bis(2,2-dimethylpropyl)butanedioate
CID 22241877
2,2-dimethylpropyl 2-ethylhexanoate
CID 22213615
bis(2,2-dimethylpropyl) 2-butan-2-ylbutanedioate
CID 22241875
2,2-dimethylpropyl 2,2-bis(sulfanyl)acetate
CID 57167978
2,2-dimethylpropyl (2R)-2-aminopropanoate
CID 86662579
2,2-dimethylpropyl 2,2-dichloroacetate
CID 545775
3-pentan-3-yloxycarbonyl-2-propylhexanoic acid
CID 131966080
bis(2,2-dimethylpropyl) 2-octylbutanedioate
CID 22733732
3-methyl-2-propylpentanoic acid
CID 54305821

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate?
The IUPAC name of bis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate (CID 141062839) is bis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate.
What is the SMILES notation for bis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate?
The canonical SMILES for bis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate is CCCC(C(=O)OCC(C)(C)C)C(CCC)C(=O)OCC(C)(C)C.
What is the InChIKey of bis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate?
The InChIKey is SUJJHMQNSCYGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4/c1-9-11-15(17(21)23-13-19(3,4)5)16(12-10-2)18(22)24-14-20(6,7)8/h15-16H,9-14H2,1-8H3.
What are the key properties of bis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate?
bis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate has a molecular weight of 342.52 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate is sourced from PubChem (CID 141062839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).