acetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid

C15H30O8 — CID 158665064

IUPACacetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid
SMILESCC(=O)O.CC(C)(C)C(=O)O.CCC(=O)O.CCCCC(=O)O
InChIInChI=1S/2C5H10O2.C3H6O2.C2H4O2/c1-5(2,3)4(6)7;1-2-3-4-5(6)7;1-2-3(4)5;1-2(3)4/h1-3H3,(H,6,7);2-4H2,1H3,(H,6,7);2H2,1H3,(H,4,5);1H3,(H,3,4)
InChIKeyNOVJNZLUOXUHSK-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.95
Rot. Bonds4

About acetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid

acetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid (PubChem CID 158665064) has the molecular formula C15H30O8 and a molecular weight of 338.40 g/mol. Its IUPAC name is acetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid.

Molecular Properties

Compound Nameacetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid
PubChem CID158665064
Molecular FormulaC15H30O8
Molecular Weight338.40 g/mol
Exact Mass338.19
IUPAC Nameacetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid
SMILESCC(=O)O.CC(C)(C)C(=O)O.CCC(=O)O.CCCCC(=O)O
InChIInChI=1S/2C5H10O2.C3H6O2.C2H4O2/c1-5(2,3)4(6)7;1-2-3-4-5(6)7;1-2-3(4)5;1-2(3)4/h1-3H3,(H,6,7);2-4H2,1H3,(H,6,7);2H2,1H3,(H,4,5);1H3,(H,3,4)
InChIKeyNOVJNZLUOXUHSK-UHFFFAOYSA-N
XLogP2.95
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

acetic acid;pentanoic acid
CID 87061456
lanthanum;pentanoic acid
CID 88604988
CID 159436476
CID 159436476
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
pentanoic acid;stannane
CID 173249748
pentanoic acid;bis(2,2,2-trifluoroacetic acid)
CID 159071922
acetic acid;decanoic acid
CID 159015360
acetic acid;hexanoic acid;silver
CID 22889705
decanoic acid;propanoic acid
CID 87792095
icosane;pentanoic acid
CID 159151393
CID 174614333
CID 174614333

Frequently Asked Questions

What is the IUPAC name of acetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid?
The IUPAC name of acetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid (CID 158665064) is acetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid.
What is the SMILES notation for acetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid?
The canonical SMILES for acetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid is CC(=O)O.CC(C)(C)C(=O)O.CCC(=O)O.CCCCC(=O)O.
What is the InChIKey of acetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid?
The InChIKey is NOVJNZLUOXUHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10O2.C3H6O2.C2H4O2/c1-5(2,3)4(6)7;1-2-3-4-5(6)7;1-2-3(4)5;1-2(3)4/h1-3H3,(H,6,7);2-4H2,1H3,(H,6,7);2H2,1H3,(H,4,5);1H3,(H,3,4).
What are the key properties of acetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid?
acetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid has a molecular weight of 338.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid is sourced from PubChem (CID 158665064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).