tetradec-8-enoic acid

C14H26O2 — CID 54338786

IUPACtetradec-8-enoic acid
SMILESCCCCCC=CCCCCCCC(=O)O
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7H,2-5,8-13H2,1H3,(H,15,16)
InChIKeyTXLBQXBKSSATFT-UHFFFAOYSA-N
MW226.36 g/mol
LogP4.55
Rot. Bonds11

About tetradec-8-enoic acid

tetradec-8-enoic acid (PubChem CID 54338786) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is tetradec-8-enoic acid.

Molecular Properties

Compound Nametetradec-8-enoic acid
PubChem CID54338786
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Nametetradec-8-enoic acid
SMILESCCCCCC=CCCCCCCC(=O)O
InChIInChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7H,2-5,8-13H2,1H3,(H,15,16)
InChIKeyTXLBQXBKSSATFT-UHFFFAOYSA-N
XLogP4.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 tetradec-8-enoic acid?
The IUPAC name of tetradec-8-enoic acid (CID 54338786) is tetradec-8-enoic acid.
What is the SMILES notation for tetradec-8-enoic acid?
The canonical SMILES for tetradec-8-enoic acid is CCCCCC=CCCCCCCC(=O)O.
What is the InChIKey of tetradec-8-enoic acid?
The InChIKey is TXLBQXBKSSATFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7H,2-5,8-13H2,1H3,(H,15,16).
What are the key properties of tetradec-8-enoic acid?
tetradec-8-enoic acid has a molecular weight of 226.36 g/mol, XLogP of 4.55, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetradec-8-enoic acid is sourced from PubChem (CID 54338786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).