acetic acid;pentanoic acid

C7H14O4 — CID 87061456

IUPACacetic acid;pentanoic acid
SMILESCC(=O)O.CCCCC(=O)O
InChIInChI=1S/C5H10O2.C2H4O2/c1-2-3-4-5(6)7;1-2(3)4/h2-4H2,1H3,(H,6,7);1H3,(H,3,4)
InChIKeyASRPLWIDQZYBQK-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.35
Rot. Bonds3

About acetic acid;pentanoic acid

acetic acid;pentanoic acid (PubChem CID 87061456) has the molecular formula C7H14O4 and a molecular weight of 162.19 g/mol. Its IUPAC name is acetic acid;pentanoic acid.

Molecular Properties

Compound Nameacetic acid;pentanoic acid
PubChem CID87061456
Molecular FormulaC7H14O4
Molecular Weight162.19 g/mol
Exact Mass162.09
IUPAC Nameacetic acid;pentanoic acid
SMILESCC(=O)O.CCCCC(=O)O
InChIInChI=1S/C5H10O2.C2H4O2/c1-2-3-4-5(6)7;1-2(3)4/h2-4H2,1H3,(H,6,7);1H3,(H,3,4)
InChIKeyASRPLWIDQZYBQK-UHFFFAOYSA-N
XLogP1.35
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

CID 159436476
CID 159436476
lanthanum;pentanoic acid
CID 88604988
pentanoic acid;silver
CID 87285302
ethane;pentanoic acid
CID 142198531
pentanoic acid;stannane
CID 173249748
acetic acid;decanoic acid
CID 159015360
acetic acid;hexanoic acid;silver
CID 22889705
icosane;pentanoic acid
CID 159151393
hypochlorous acid;pentanoic acid
CID 157152267
CID 174614333
CID 174614333
pentanoic acid;propan-1-ol
CID 87061359
acetic acid;2,2-dimethylpropanoic acid;pentanoic acid;propanoic acid
CID 158665064

Frequently Asked Questions

What is the IUPAC name of acetic acid;pentanoic acid?
The IUPAC name of acetic acid;pentanoic acid (CID 87061456) is acetic acid;pentanoic acid.
What is the SMILES notation for acetic acid;pentanoic acid?
The canonical SMILES for acetic acid;pentanoic acid is CC(=O)O.CCCCC(=O)O.
What is the InChIKey of acetic acid;pentanoic acid?
The InChIKey is ASRPLWIDQZYBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C2H4O2/c1-2-3-4-5(6)7;1-2(3)4/h2-4H2,1H3,(H,6,7);1H3,(H,3,4).
What are the key properties of acetic acid;pentanoic acid?
acetic acid;pentanoic acid has a molecular weight of 162.19 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;pentanoic acid is sourced from PubChem (CID 87061456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).