3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid

C72H144O27 — CID 173057054

IUPAC3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid
SMILESCC(O)CC(=O)O.CCC(O)CC(=O)O.CCCC(O)CC(=O)O.CCCCC(O)CC(=O)O.CCCCCC(O)CC(=O)O.CCCCCCC(O)CC(=O)O.CCCCCCCC(O)CC(=O)O.CCCCCCCCC(O)CC(=O)O.CCCCCCCCCC(O)CC(=O)O
InChIInChI=1S/C12H24O3.C11H22O3.C10H20O3.C9H18O3.C8H16O3.C7H14O3.C6H12O3.C5H10O3.C4H8O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15;1-2-3-4-5-6-7-8-10(12)9-11(13)14;1-2-3-4-5-6-7-9(11)8-10(12)13;1-2-3-4-5-6-8(10)7-9(11)12;1-2-3-4-5-7(9)6-8(10)11;1-2-3-4-6(8)5-7(9)10;1-2-3-5(7)4-6(8)9;1-2-4(6)3-5(7)8;1-3(5)2-4(6)7/h11,13H,2-10H2,1H3,(H,14,15);10,12H,2-9H2,1H3,(H,13,14);9,11H,2-8H2,1H3,(H,12,13);8,10H,2-7H2,1H3,(H,11,12);7,9H,2-6H2,1H3,(H,10,11);6,8H,2-5H2,1H3,(H,9,10);5,7H,2-4H2,1H3,(H,8,9);4,6H,2-3H2,1H3,(H,7,8);3,5H,2H2,1H3,(H,6,7)
InChIKeyVZLYMEHIAYXMQN-UHFFFAOYSA-N
MW1441.92 g/mol
LogP12.62
Rot. Bonds54

About 3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid

3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid (PubChem CID 173057054) has the molecular formula C72H144O27 and a molecular weight of 1441.92 g/mol. Its IUPAC name is 3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid.

Molecular Properties

Compound Name3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid
PubChem CID173057054
Molecular FormulaC72H144O27
Molecular Weight1441.92 g/mol
Exact Mass1440.99
IUPAC Name3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid
SMILESCC(O)CC(=O)O.CCC(O)CC(=O)O.CCCC(O)CC(=O)O.CCCCC(O)CC(=O)O.CCCCCC(O)CC(=O)O.CCCCCCC(O)CC(=O)O.CCCCCCCC(O)CC(=O)O.CCCCCCCCC(O)CC(=O)O.CCCCCCCCCC(O)CC(=O)O
InChIInChI=1S/C12H24O3.C11H22O3.C10H20O3.C9H18O3.C8H16O3.C7H14O3.C6H12O3.C5H10O3.C4H8O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15;1-2-3-4-5-6-7-8-10(12)9-11(13)14;1-2-3-4-5-6-7-9(11)8-10(12)13;1-2-3-4-5-6-8(10)7-9(11)12;1-2-3-4-5-7(9)6-8(10)11;1-2-3-4-6(8)5-7(9)10;1-2-3-5(7)4-6(8)9;1-2-4(6)3-5(7)8;1-3(5)2-4(6)7/h11,13H,2-10H2,1H3,(H,14,15);10,12H,2-9H2,1H3,(H,13,14);9,11H,2-8H2,1H3,(H,12,13);8,10H,2-7H2,1H3,(H,11,12);7,9H,2-6H2,1H3,(H,10,11);6,8H,2-5H2,1H3,(H,9,10);5,7H,2-4H2,1H3,(H,8,9);4,6H,2-3H2,1H3,(H,7,8);3,5H,2H2,1H3,(H,6,7)
InChIKeyVZLYMEHIAYXMQN-UHFFFAOYSA-N
XLogP12.62
TPSA517.77 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds54
Heavy Atoms99
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001441.92
LogP ≤ 512.62
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxytetracosanoic acid
CID 5312781
3-hydroxyoctanoic acid
CID 159718411
3,13-dihydroxytetradecanoic acid
CID 146242796
(3R,14R)-3,14-dihydroxypentadecanoic acid
CID 86289835
(3R,15S)-3,15-dihydroxyhexadecanoic acid
CID 100641841
(3R,5R)-3,5-dihydroxydocosanoic acid
CID 102203188
(Z)-3-hydroxyhexadec-10-enoic acid
CID 164665006
3-hydroxyhexanoic acid;methane
CID 175209406
9-amino-3-hydroxyundecanoic acid
CID 175426923
(Z,3R)-3-hydroxytetradec-7-enoic acid
CID 24881363
(3R)-3,8-dihydroxytetradec-5-enoic acid
CID 57012260

Frequently Asked Questions

What is the IUPAC name of 3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid?
The IUPAC name of 3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid (CID 173057054) is 3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid.
What is the SMILES notation for 3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid?
The canonical SMILES for 3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid is CC(O)CC(=O)O.CCC(O)CC(=O)O.CCCC(O)CC(=O)O.CCCCC(O)CC(=O)O.CCCCCC(O)CC(=O)O.CCCCCCC(O)CC(=O)O.CCCCCCCC(O)CC(=O)O.CCCCCCCCC(O)CC(=O)O.CCCCCCCCCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid?
The InChIKey is VZLYMEHIAYXMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3.C11H22O3.C10H20O3.C9H18O3.C8H16O3.C7H14O3.C6H12O3.C5H10O3.C4H8O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15;1-2-3-4-5-6-7-8-10(12)9-11(13)14;1-2-3-4-5-6-7-9(11)8-10(12)13;1-2-3-4-5-6-8(10)7-9(11)12;1-2-3-4-5-7(9)6-8(10)11;1-2-3-4-6(8)5-7(9)10;1-2-3-5(7)4-6(8)9;1-2-4(6)3-5(7)8;1-3(5)2-4(6)7/h11,13H,2-10H2,1H3,(H,14,15);10,12H,2-9H2,1H3,(H,13,14);9,11H,2-8H2,1H3,(H,12,13);8,10H,2-7H2,1H3,(H,11,12);7,9H,2-6H2,1H3,(H,10,11);6,8H,2-5H2,1H3,(H,9,10);5,7H,2-4H2,1H3,(H,8,9);4,6H,2-3H2,1H3,(H,7,8);3,5H,2H2,1H3,(H,6,7).
What are the key properties of 3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid?
3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid has a molecular weight of 1441.92 g/mol, XLogP of 12.62, 54 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid is sourced from PubChem (CID 173057054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).