acetic acid;butanoic acid;octadec-9-enoic acid

C24H46O6 — CID 173140619

IUPACacetic acid;butanoic acid;octadec-9-enoic acid
SMILESCC(=O)O.CCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O
InChIInChI=1S/C18H34O2.C4H8O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4(5)6;1-2(3)4/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-3H2,1H3,(H,5,6);1H3,(H,3,4)
InChIKeyGEAMVCNNIQMRKK-UHFFFAOYSA-N
MW430.63 g/mol
LogP7.07
Rot. Bonds17

About acetic acid;butanoic acid;octadec-9-enoic acid

acetic acid;butanoic acid;octadec-9-enoic acid (PubChem CID 173140619) has the molecular formula C24H46O6 and a molecular weight of 430.63 g/mol. Its IUPAC name is acetic acid;butanoic acid;octadec-9-enoic acid.

Molecular Properties

Compound Nameacetic acid;butanoic acid;octadec-9-enoic acid
PubChem CID173140619
Molecular FormulaC24H46O6
Molecular Weight430.63 g/mol
Exact Mass430.33
IUPAC Nameacetic acid;butanoic acid;octadec-9-enoic acid
SMILESCC(=O)O.CCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O
InChIInChI=1S/C18H34O2.C4H8O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4(5)6;1-2(3)4/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-3H2,1H3,(H,5,6);1H3,(H,3,4)
InChIKeyGEAMVCNNIQMRKK-UHFFFAOYSA-N
XLogP7.07
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.63
LogP ≤ 57.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetic acid;butanoic acid;octadec-9-enoic 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

triacont-6-enoic acid
CID 169276816
(E)-hexadec-8-enoic acid
CID 6430788
hexadec-9-enoic acid;(Z)-hexadec-9-enoic acid
CID 87100136
(Z)-hexadec-9-enoic acid;octadecanoic acid;(Z)-octadec-9-enoic acid
CID 157299242
octadecane;octadec-9-enoic acid
CID 158603673
decanoic acid;octadec-9-enoic acid
CID 173212255
(Z)-pentadec-6-enoic acid
CID 13128939
(Z)-(1613C)hexadec-9-enoic acid
CID 171379046
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832
(23E,29E)-heptatriaconta-23,29-dienoic acid
CID 87652352
docosanoic acid;(Z)-icos-9-enoic acid
CID 159601642

Frequently Asked Questions

What is the IUPAC name of acetic acid;butanoic acid;octadec-9-enoic acid?
The IUPAC name of acetic acid;butanoic acid;octadec-9-enoic acid (CID 173140619) is acetic acid;butanoic acid;octadec-9-enoic acid.
What is the SMILES notation for acetic acid;butanoic acid;octadec-9-enoic acid?
The canonical SMILES for acetic acid;butanoic acid;octadec-9-enoic acid is CC(=O)O.CCCC(=O)O.CCCCCCCCC=CCCCCCCCC(=O)O.
What is the InChIKey of acetic acid;butanoic acid;octadec-9-enoic acid?
The InChIKey is GEAMVCNNIQMRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2.C4H8O2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-2-3-4(5)6;1-2(3)4/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-3H2,1H3,(H,5,6);1H3,(H,3,4).
What are the key properties of acetic acid;butanoic acid;octadec-9-enoic acid?
acetic acid;butanoic acid;octadec-9-enoic acid has a molecular weight of 430.63 g/mol, XLogP of 7.07, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;butanoic acid;octadec-9-enoic acid is sourced from PubChem (CID 173140619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).