deca-3,5-dienoic acid

C10H16O2 — CID 54113782

IUPACdeca-3,5-dienoic acid
SMILESCCCCC=CC=CCC(=O)O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-8H,2-4,9H2,1H3,(H,11,12)
InChIKeyNIXJSSSDLHOVCL-UHFFFAOYSA-N
MW168.24 g/mol
LogP2.76
Rot. Bonds6

About deca-3,5-dienoic acid

deca-3,5-dienoic acid (PubChem CID 54113782) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is deca-3,5-dienoic acid.

Molecular Properties

Compound Namedeca-3,5-dienoic acid
PubChem CID54113782
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namedeca-3,5-dienoic acid
SMILESCCCCC=CC=CCC(=O)O
InChIInChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-8H,2-4,9H2,1H3,(H,11,12)
InChIKeyNIXJSSSDLHOVCL-UHFFFAOYSA-N
XLogP2.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

dodeca-3,5,7-trienoic acid
CID 151654337
pentadeca-3,5-dienoic acid
CID 91404982
octadeca-3,5-dienoic acid
CID 54573818
(6E,8E,10E)-pentadeca-6,8,10-trienoic acid
CID 101132736
(4E,6E,8E,10E,12E,17E)-docosa-4,6,8,10,12,17-hexaenoic acid
CID 153399699
octadeca-2,11,13-trienoic acid
CID 173322272
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
(5E,7Z)-hexadeca-5,7-dienoic acid
CID 87408185
(5E,7E)-docosa-5,7-dienoic acid
CID 118460642
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
heptacosa-12,14-dienoic acid
CID 172824582

Frequently Asked Questions

What is the IUPAC name of deca-3,5-dienoic acid?
The IUPAC name of deca-3,5-dienoic acid (CID 54113782) is deca-3,5-dienoic acid.
What is the SMILES notation for deca-3,5-dienoic acid?
The canonical SMILES for deca-3,5-dienoic acid is CCCCC=CC=CCC(=O)O.
What is the InChIKey of deca-3,5-dienoic acid?
The InChIKey is NIXJSSSDLHOVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h5-8H,2-4,9H2,1H3,(H,11,12).
What are the key properties of deca-3,5-dienoic acid?
deca-3,5-dienoic acid has a molecular weight of 168.24 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deca-3,5-dienoic acid is sourced from PubChem (CID 54113782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).