butanoic acid;bis(2,2-dideuteriobutanoic acid)

C16H32O8 — CID 163500105

IUPACbutanoic acid;bis(2,2-dideuteriobutanoic acid)
SMILESCCCC(=O)O.CCCC(=O)O.[2H]C([2H])(CC)C(=O)O.[2H]C([2H])(CC)C(=O)O
InChIInChI=1S/4C4H8O2/c4*1-2-3-4(5)6/h4*2-3H2,1H3,(H,5,6)/i2*3D2;;
InChIKeyCTZUOLUXBPNZSJ-GYTSGIJOSA-N
MW356.45 g/mol
LogP3.48
Rot. Bonds8

About butanoic acid;bis(2,2-dideuteriobutanoic acid)

butanoic acid;bis(2,2-dideuteriobutanoic acid) (PubChem CID 163500105) has the molecular formula C16H32O8 and a molecular weight of 356.45 g/mol. Its IUPAC name is butanoic acid;bis(2,2-dideuteriobutanoic acid).

Molecular Properties

Compound Namebutanoic acid;bis(2,2-dideuteriobutanoic acid)
PubChem CID163500105
Molecular FormulaC16H32O8
Molecular Weight356.45 g/mol
Exact Mass356.23
IUPAC Namebutanoic acid;bis(2,2-dideuteriobutanoic acid)
SMILESCCCC(=O)O.CCCC(=O)O.[2H]C([2H])(CC)C(=O)O.[2H]C([2H])(CC)C(=O)O
InChIInChI=1S/4C4H8O2/c4*1-2-3-4(5)6/h4*2-3H2,1H3,(H,5,6)/i2*3D2;;
InChIKeyCTZUOLUXBPNZSJ-GYTSGIJOSA-N
XLogP3.48
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 173374540
butanoic acid;octakis(hexane)
CID 173316169
butanoic acid;dihydrochloride
CID 173423767
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CID 87090666
butanoic acid;mercury
CID 87059277
dialuminum;butanoic acid
CID 175897781
butanoic acid;heptahydrofluoride
CID 172757824
butanoic acid;copper
CID 57425269
CID 87408506
CID 87408506
butanoic acid;praseodymium
CID 88777452
azane;butanoic acid
CID 175057491
CID 88693438
CID 88693438

Frequently Asked Questions

What is the IUPAC name of butanoic acid;bis(2,2-dideuteriobutanoic acid)?
The IUPAC name of butanoic acid;bis(2,2-dideuteriobutanoic acid) (CID 163500105) is butanoic acid;bis(2,2-dideuteriobutanoic acid).
What is the SMILES notation for butanoic acid;bis(2,2-dideuteriobutanoic acid)?
The canonical SMILES for butanoic acid;bis(2,2-dideuteriobutanoic acid) is CCCC(=O)O.CCCC(=O)O.[2H]C([2H])(CC)C(=O)O.[2H]C([2H])(CC)C(=O)O.
What is the InChIKey of butanoic acid;bis(2,2-dideuteriobutanoic acid)?
The InChIKey is CTZUOLUXBPNZSJ-GYTSGIJOSA-N. The full InChI is InChI=1S/4C4H8O2/c4*1-2-3-4(5)6/h4*2-3H2,1H3,(H,5,6)/i2*3D2;;.
What are the key properties of butanoic acid;bis(2,2-dideuteriobutanoic acid)?
butanoic acid;bis(2,2-dideuteriobutanoic acid) has a molecular weight of 356.45 g/mol, XLogP of 3.48, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;bis(2,2-dideuteriobutanoic acid) is sourced from PubChem (CID 163500105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).