pentadeca-5,10-dienoic acid

C15H26O2 — CID 535083

IUPACpentadeca-5,10-dienoic acid
SMILESCCCCC=CCCCC=CCCCC(=O)O
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-6,10-11H,2-4,7-9,12-14H2,1H3,(H,16,17)
InChIKeyYPKRJWROUUCRLV-UHFFFAOYSA-N
MW238.37 g/mol
LogP4.71
Rot. Bonds11

About pentadeca-5,10-dienoic acid

pentadeca-5,10-dienoic acid (PubChem CID 535083) has the molecular formula C15H26O2 and a molecular weight of 238.37 g/mol. Its IUPAC name is pentadeca-5,10-dienoic acid.

Molecular Properties

Compound Namepentadeca-5,10-dienoic acid
PubChem CID535083
Molecular FormulaC15H26O2
Molecular Weight238.37 g/mol
Exact Mass238.19
IUPAC Namepentadeca-5,10-dienoic acid
SMILESCCCCC=CCCCC=CCCCC(=O)O
InChIInChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-6,10-11H,2-4,7-9,12-14H2,1H3,(H,16,17)
InChIKeyYPKRJWROUUCRLV-UHFFFAOYSA-N
XLogP4.71
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 54.71
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

(5E,8E,11E)-hexadeca-5,8,11-trienoic acid
CID 5282810
icosa-5,10,14-trienoic acid
CID 162425903
(Z)-tetradec-5-enoic acid
CID 5312400
heptacos-5-enoic acid
CID 169277466
(Z)-tricos-5-enoic acid
CID 170849785
(E)-tetradec-9-enoic acid
CID 5312402
(E)-hexadec-11-enoic acid
CID 5312413
(E)-tricos-18-enoic acid
CID 20847589
(E)-nonadec-14-enoic acid
CID 101410255
iron;(Z)-octadec-13-enoic acid
CID 175306655
lanthanum;tris((Z)-tetradec-9-enoic acid)
CID 155704268
(5Z,9Z)-heptacosa-5,9-dienoic acid
CID 44567153

Frequently Asked Questions

What is the IUPAC name of pentadeca-5,10-dienoic acid?
The IUPAC name of pentadeca-5,10-dienoic acid (CID 535083) is pentadeca-5,10-dienoic acid.
What is the SMILES notation for pentadeca-5,10-dienoic acid?
The canonical SMILES for pentadeca-5,10-dienoic acid is CCCCC=CCCCC=CCCCC(=O)O.
What is the InChIKey of pentadeca-5,10-dienoic acid?
The InChIKey is YPKRJWROUUCRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h5-6,10-11H,2-4,7-9,12-14H2,1H3,(H,16,17).
What are the key properties of pentadeca-5,10-dienoic acid?
pentadeca-5,10-dienoic acid has a molecular weight of 238.37 g/mol, XLogP of 4.71, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentadeca-5,10-dienoic acid is sourced from PubChem (CID 535083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).