octadeca-9,10-dien-12,14-diynoic acid

C18H24O2 — CID 11608761

IUPACoctadeca-9,10-dien-12,14-diynoic acid
SMILESCCCC#CC#CC=C=CCCCCCCCC(=O)O
InChIInChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8,10H,2-3,11-17H2,1H3,(H,19,20)
InChIKeyKSAZGINEUAUMNR-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.32
Rot. Bonds9

About octadeca-9,10-dien-12,14-diynoic acid

octadeca-9,10-dien-12,14-diynoic acid (PubChem CID 11608761) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is octadeca-9,10-dien-12,14-diynoic acid.

Molecular Properties

Compound Nameoctadeca-9,10-dien-12,14-diynoic acid
PubChem CID11608761
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Nameoctadeca-9,10-dien-12,14-diynoic acid
SMILESCCCC#CC#CC=C=CCCCCCCCC(=O)O
InChIInChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8,10H,2-3,11-17H2,1H3,(H,19,20)
InChIKeyKSAZGINEUAUMNR-UHFFFAOYSA-N
XLogP4.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of octadeca-9,10-dien-12,14-diynoic acid?
The IUPAC name of octadeca-9,10-dien-12,14-diynoic acid (CID 11608761) is octadeca-9,10-dien-12,14-diynoic acid.
What is the SMILES notation for octadeca-9,10-dien-12,14-diynoic acid?
The canonical SMILES for octadeca-9,10-dien-12,14-diynoic acid is CCCC#CC#CC=C=CCCCCCCCC(=O)O.
What is the InChIKey of octadeca-9,10-dien-12,14-diynoic acid?
The InChIKey is KSAZGINEUAUMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h8,10H,2-3,11-17H2,1H3,(H,19,20).
What are the key properties of octadeca-9,10-dien-12,14-diynoic acid?
octadeca-9,10-dien-12,14-diynoic acid has a molecular weight of 272.39 g/mol, XLogP of 4.32, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for octadeca-9,10-dien-12,14-diynoic acid is sourced from PubChem (CID 11608761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).