butanoic acid;dihydrochloride

C16H34Cl2O8 — CID 173423767

IUPACbutanoic acid;dihydrochloride
SMILESCCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.Cl.Cl
InChIInChI=1S/4C4H8O2.2ClH/c4*1-2-3-4(5)6;;/h4*2-3H2,1H3,(H,5,6);2*1H
InChIKeyBTXCJRXUVSXUBI-UHFFFAOYSA-N
MW425.35 g/mol
LogP4.33
Rot. Bonds8

About butanoic acid;dihydrochloride

butanoic acid;dihydrochloride (PubChem CID 173423767) has the molecular formula C16H34Cl2O8 and a molecular weight of 425.35 g/mol. Its IUPAC name is butanoic acid;dihydrochloride.

Molecular Properties

Compound Namebutanoic acid;dihydrochloride
PubChem CID173423767
Molecular FormulaC16H34Cl2O8
Molecular Weight425.35 g/mol
Exact Mass424.16
IUPAC Namebutanoic acid;dihydrochloride
SMILESCCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.Cl.Cl
InChIInChI=1S/4C4H8O2.2ClH/c4*1-2-3-4(5)6;;/h4*2-3H2,1H3,(H,5,6);2*1H
InChIKeyBTXCJRXUVSXUBI-UHFFFAOYSA-N
XLogP4.33
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.35
LogP ≤ 54.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

sodium;butanoic acid;hydride;hydrochloride
CID 174274884
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butanoic acid;copper
CID 57425269
CID 87408506
CID 87408506
butanoic acid;praseodymium
CID 88777452
azane;butanoic acid
CID 175057491
butanoic acid;zirconium
CID 87090666
butanoic acid;mercury
CID 87059277
CID 88693438
CID 88693438
azane;butanoic acid
CID 173280540
CID 87208956
CID 87208956

Frequently Asked Questions

What is the IUPAC name of butanoic acid;dihydrochloride?
The IUPAC name of butanoic acid;dihydrochloride (CID 173423767) is butanoic acid;dihydrochloride.
What is the SMILES notation for butanoic acid;dihydrochloride?
The canonical SMILES for butanoic acid;dihydrochloride is CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.Cl.Cl.
What is the InChIKey of butanoic acid;dihydrochloride?
The InChIKey is BTXCJRXUVSXUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H8O2.2ClH/c4*1-2-3-4(5)6;;/h4*2-3H2,1H3,(H,5,6);2*1H.
What are the key properties of butanoic acid;dihydrochloride?
butanoic acid;dihydrochloride has a molecular weight of 425.35 g/mol, XLogP of 4.33, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;dihydrochloride is sourced from PubChem (CID 173423767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).