butan-1-ol;4-oxopentanoic acid

C9H18O4 — CID 175236789

IUPACbutan-1-ol;4-oxopentanoic acid
SMILESCC(=O)CCC(=O)O.CCCCO
InChIInChI=1S/C5H8O3.C4H10O/c1-4(6)2-3-5(7)8;1-2-3-4-5/h2-3H2,1H3,(H,7,8);5H,2-4H2,1H3
InChIKeyFZINFEHRODJZDG-UHFFFAOYSA-N
MW190.24 g/mol
LogP1.22
Rot. Bonds5

About butan-1-ol;4-oxopentanoic acid

butan-1-ol;4-oxopentanoic acid (PubChem CID 175236789) has the molecular formula C9H18O4 and a molecular weight of 190.24 g/mol. Its IUPAC name is butan-1-ol;4-oxopentanoic acid.

Molecular Properties

Compound Namebutan-1-ol;4-oxopentanoic acid
PubChem CID175236789
Molecular FormulaC9H18O4
Molecular Weight190.24 g/mol
Exact Mass190.12
IUPAC Namebutan-1-ol;4-oxopentanoic acid
SMILESCC(=O)CCC(=O)O.CCCCO
InChIInChI=1S/C5H8O3.C4H10O/c1-4(6)2-3-5(7)8;1-2-3-4-5/h2-3H2,1H3,(H,7,8);5H,2-4H2,1H3
InChIKeyFZINFEHRODJZDG-UHFFFAOYSA-N
XLogP1.22
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

butane-1,4-diol;bis(4-oxopentanoic acid)
CID 87560661
butan-1-ol;hexan-2-one
CID 20532115
butanedioic acid;octadecan-1-ol
CID 174509049
butan-1-ol;heptan-2-one
CID 87902708
butan-1-ol;decanedioic acid
CID 174423562
butanoic acid;4-oxopentanoic acid
CID 87275354
butan-1-ol;propanedioic acid
CID 174602760
butan-1-ol;octadecanoic acid;zirconium
CID 141168170
butan-1-ol;bis(3-sulfanylpropanoic acid)
CID 175949702
4-oxopentanoic acid;zinc
CID 87190982
butanoic acid;butan-1-ol;pentanoic acid;pentan-1-ol
CID 161057426
azane;butan-1-ol;2-hydroxyacetic acid
CID 173398964

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;4-oxopentanoic acid?
The IUPAC name of butan-1-ol;4-oxopentanoic acid (CID 175236789) is butan-1-ol;4-oxopentanoic acid.
What is the SMILES notation for butan-1-ol;4-oxopentanoic acid?
The canonical SMILES for butan-1-ol;4-oxopentanoic acid is CC(=O)CCC(=O)O.CCCCO.
What is the InChIKey of butan-1-ol;4-oxopentanoic acid?
The InChIKey is FZINFEHRODJZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.C4H10O/c1-4(6)2-3-5(7)8;1-2-3-4-5/h2-3H2,1H3,(H,7,8);5H,2-4H2,1H3.
What are the key properties of butan-1-ol;4-oxopentanoic acid?
butan-1-ol;4-oxopentanoic acid has a molecular weight of 190.24 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;4-oxopentanoic acid is sourced from PubChem (CID 175236789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).