bis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate

C20H38O4 — CID 22241836

IUPACbis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate
SMILESCC(C)C(C(=O)OCC(C)(C)C)C(C(=O)OCC(C)(C)C)C(C)C
InChIInChI=1S/C20H38O4/c1-13(2)15(17(21)23-11-19(5,6)7)16(14(3)4)18(22)24-12-20(8,9)10/h13-16H,11-12H2,1-10H3
InChIKeyHJCDVOQEOGWEHT-UHFFFAOYSA-N
MW342.52 g/mol
LogP4.71
Rot. Bonds7

About bis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate

bis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate (PubChem CID 22241836) has the molecular formula C20H38O4 and a molecular weight of 342.52 g/mol. Its IUPAC name is bis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate.

Molecular Properties

Compound Namebis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate
PubChem CID22241836
Molecular FormulaC20H38O4
Molecular Weight342.52 g/mol
Exact Mass342.28
IUPAC Namebis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate
SMILESCC(C)C(C(=O)OCC(C)(C)C)C(C(=O)OCC(C)(C)C)C(C)C
InChIInChI=1S/C20H38O4/c1-13(2)15(17(21)23-11-19(5,6)7)16(14(3)4)18(22)24-12-20(8,9)10/h13-16H,11-12H2,1-10H3
InChIKeyHJCDVOQEOGWEHT-UHFFFAOYSA-N
XLogP4.71
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.52
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 86662579
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CID 545775
2,2-dimethylpropyl carboniodidate
CID 71320370
bis(2,2-dimethylpropyl) 2,3-bis(2,2-dimethylpropyl)butanedioate
CID 22241877
bis(2,2-dimethylpropyl) 2,3-bis(3-methylbutyl)butanedioate
CID 22241845
2,2-dimethylpropyl acetate
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3-(2,2-dimethylpropoxycarbonyl)-6-methyl-2-(3-methylbutyl)heptanoic acid
CID 151822493
bis(2,2-dimethylpropyl) 2,3-dipropylbutanedioate
CID 141062839
bis(2,2-dimethylpropyl) 2-butan-2-ylbutanedioate
CID 22241875
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bis(2,2-dimethylpropyl) 2-bromo-2-propan-2-ylpropanedioate
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Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate?
The IUPAC name of bis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate (CID 22241836) is bis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate.
What is the SMILES notation for bis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate?
The canonical SMILES for bis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate is CC(C)C(C(=O)OCC(C)(C)C)C(C(=O)OCC(C)(C)C)C(C)C.
What is the InChIKey of bis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate?
The InChIKey is HJCDVOQEOGWEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O4/c1-13(2)15(17(21)23-11-19(5,6)7)16(14(3)4)18(22)24-12-20(8,9)10/h13-16H,11-12H2,1-10H3.
What are the key properties of bis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate?
bis(2,2-dimethylpropyl) 2,3-di(propan-2-yl)butanedioate has a molecular weight of 342.52 g/mol, XLogP of 4.71, 7 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-di(propan-2-yl)butanedioate is sourced from PubChem (CID 22241836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).