(3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne

C22H28 — CID 10708813

IUPAC(3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne
SMILESC#C/C=C\CCCC#C/C=C/CCCCCCC/C=C\C#C
InChIInChI=1S/C22H28/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h1-2,5-8,20,22H,9-15,17,19,21H2/b7-5-,8-6-,22-20+
InChIKeySNOQQKJRUJUFGR-KFZLUQCGSA-N
MW292.47 g/mol
LogP5.83
Rot. Bonds11

About (3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne

(3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne (PubChem CID 10708813) has the molecular formula C22H28 and a molecular weight of 292.47 g/mol. Its IUPAC name is (3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne.

Molecular Properties

Compound Name(3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne
PubChem CID10708813
Molecular FormulaC22H28
Molecular Weight292.47 g/mol
Exact Mass292.22
IUPAC Name(3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne
SMILESC#C/C=C\CCCC#C/C=C/CCCCCCC/C=C\C#C
InChIInChI=1S/C22H28/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h1-2,5-8,20,22H,9-15,17,19,21H2/b7-5-,8-6-,22-20+
InChIKeySNOQQKJRUJUFGR-KFZLUQCGSA-N
XLogP5.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.47
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne?
The IUPAC name of (3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne (CID 10708813) is (3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne.
What is the SMILES notation for (3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne?
The canonical SMILES for (3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne is C#C/C=C\CCCC#C/C=C/CCCCCCC/C=C\C#C.
What is the InChIKey of (3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne?
The InChIKey is SNOQQKJRUJUFGR-KFZLUQCGSA-N. The full InChI is InChI=1S/C22H28/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h1-2,5-8,20,22H,9-15,17,19,21H2/b7-5-,8-6-,22-20+.
What are the key properties of (3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne?
(3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne has a molecular weight of 292.47 g/mol, XLogP of 5.83, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,10E,19Z)-docosa-3,10,19-trien-1,8,21-triyne is sourced from PubChem (CID 10708813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).