tetradecanoic acid;tetradec-9-enoic acid

C28H54O4 — CID 162088286

IUPACtetradecanoic acid;tetradec-9-enoic acid
SMILESCCCCC=CCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C14H26O2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16);5-6H,2-4,7-13H2,1H3,(H,15,16)
InChIKeyZDGMAHZQWFLGTC-UHFFFAOYSA-N
MW454.74 g/mol
LogP9.32
Rot. Bonds23

About tetradecanoic acid;tetradec-9-enoic acid

tetradecanoic acid;tetradec-9-enoic acid (PubChem CID 162088286) has the molecular formula C28H54O4 and a molecular weight of 454.74 g/mol. Its IUPAC name is tetradecanoic acid;tetradec-9-enoic acid.

Molecular Properties

Compound Nametetradecanoic acid;tetradec-9-enoic acid
PubChem CID162088286
Molecular FormulaC28H54O4
Molecular Weight454.74 g/mol
Exact Mass454.40
IUPAC Nametetradecanoic acid;tetradec-9-enoic acid
SMILESCCCCC=CCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C14H28O2.C14H26O2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16);5-6H,2-4,7-13H2,1H3,(H,15,16)
InChIKeyZDGMAHZQWFLGTC-UHFFFAOYSA-N
XLogP9.32
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 59.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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 tetradecanoic acid;tetradec-9-enoic acid?
The IUPAC name of tetradecanoic acid;tetradec-9-enoic acid (CID 162088286) is tetradecanoic acid;tetradec-9-enoic acid.
What is the SMILES notation for tetradecanoic acid;tetradec-9-enoic acid?
The canonical SMILES for tetradecanoic acid;tetradec-9-enoic acid is CCCCC=CCCCCCCCC(=O)O.CCCCCCCCCCCCCC(=O)O.
What is the InChIKey of tetradecanoic acid;tetradec-9-enoic acid?
The InChIKey is ZDGMAHZQWFLGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O2.C14H26O2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16);5-6H,2-4,7-13H2,1H3,(H,15,16).
What are the key properties of tetradecanoic acid;tetradec-9-enoic acid?
tetradecanoic acid;tetradec-9-enoic acid has a molecular weight of 454.74 g/mol, XLogP of 9.32, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecanoic acid;tetradec-9-enoic acid is sourced from PubChem (CID 162088286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).