acetic acid;4-hydroxybutanoic acid

C16H32O15 — CID 173284712

IUPACacetic acid;4-hydroxybutanoic acid
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O=C(O)CCCO
InChIInChI=1S/C4H8O3.6C2H4O2/c5-3-1-2-4(6)7;6*1-2(3)4/h5H,1-3H2,(H,6,7);6*1H3,(H,3,4)
InChIKeyLDAPXZJEVULRDT-UHFFFAOYSA-N
MW464.42 g/mol
LogP0.39
Rot. Bonds3

About acetic acid;4-hydroxybutanoic acid

acetic acid;4-hydroxybutanoic acid (PubChem CID 173284712) has the molecular formula C16H32O15 and a molecular weight of 464.42 g/mol. Its IUPAC name is acetic acid;4-hydroxybutanoic acid.

Molecular Properties

Compound Nameacetic acid;4-hydroxybutanoic acid
PubChem CID173284712
Molecular FormulaC16H32O15
Molecular Weight464.42 g/mol
Exact Mass464.17
IUPAC Nameacetic acid;4-hydroxybutanoic acid
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O=C(O)CCCO
InChIInChI=1S/C4H8O3.6C2H4O2/c5-3-1-2-4(6)7;6*1-2(3)4/h5H,1-3H2,(H,6,7);6*1H3,(H,3,4)
InChIKeyLDAPXZJEVULRDT-UHFFFAOYSA-N
XLogP0.39
TPSA281.33 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.42
LogP ≤ 50.39
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

4-hydroxybutanoic acid;iron
CID 175070991
4-hydroxybutanoic acid;yttrium
CID 58261226
5-hydroxypentanoic acid
CID 25945
acetic acid;butane-1,4-diol
CID 53446412
ethane;6-hydroxyhexanoic acid
CID 87459132
31-hydroxyhentriacontanoic acid
CID 71339995
38-hydroxyoctatriacontanoic acid
CID 18981443
10-hydroxydecanoic acid
CID 138734563
hexane-1,6-diol;tetradecanedioic acid
CID 158984327
butane-1,4-diol;hexanedioic acid;bis(hexane-1,6-diol)
CID 161164712
butane-1,4-diol;bis(4-oxopentanoic acid)
CID 87560661
hexanedioic acid;propan-2-one
CID 158520683

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-hydroxybutanoic acid?
The IUPAC name of acetic acid;4-hydroxybutanoic acid (CID 173284712) is acetic acid;4-hydroxybutanoic acid.
What is the SMILES notation for acetic acid;4-hydroxybutanoic acid?
The canonical SMILES for acetic acid;4-hydroxybutanoic acid is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.O=C(O)CCCO.
What is the InChIKey of acetic acid;4-hydroxybutanoic acid?
The InChIKey is LDAPXZJEVULRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3.6C2H4O2/c5-3-1-2-4(6)7;6*1-2(3)4/h5H,1-3H2,(H,6,7);6*1H3,(H,3,4).
What are the key properties of acetic acid;4-hydroxybutanoic acid?
acetic acid;4-hydroxybutanoic acid has a molecular weight of 464.42 g/mol, XLogP of 0.39, 3 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-hydroxybutanoic acid is sourced from PubChem (CID 173284712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).