(3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne

C21H22 — CID 10588409

IUPAC(3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne
SMILESC#C/C=C\CCCC#CC#C/C=C\CCCC/C=C\C#C
InChIInChI=1S/C21H22/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h1-2,5-8,17,19H,9-15H2/b7-5-,8-6-,19-17-
InChIKeyJFENLTHOQHAVOQ-CJGOWDHWSA-N
MW274.41 g/mol
LogP4.66
Rot. Bonds8

About (3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne

(3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne (PubChem CID 10588409) has the molecular formula C21H22 and a molecular weight of 274.41 g/mol. Its IUPAC name is (3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne.

Molecular Properties

Compound Name(3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne
PubChem CID10588409
Molecular FormulaC21H22
Molecular Weight274.41 g/mol
Exact Mass274.17
IUPAC Name(3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne
SMILESC#C/C=C\CCCC#CC#C/C=C\CCCC/C=C\C#C
InChIInChI=1S/C21H22/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h1-2,5-8,17,19H,9-15H2/b7-5-,8-6-,19-17-
InChIKeyJFENLTHOQHAVOQ-CJGOWDHWSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.66
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,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne?
The IUPAC name of (3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne (CID 10588409) is (3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne.
What is the SMILES notation for (3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne?
The canonical SMILES for (3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne is C#C/C=C\CCCC#CC#C/C=C\CCCC/C=C\C#C.
What is the InChIKey of (3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne?
The InChIKey is JFENLTHOQHAVOQ-CJGOWDHWSA-N. The full InChI is InChI=1S/C21H22/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h1-2,5-8,17,19H,9-15H2/b7-5-,8-6-,19-17-.
What are the key properties of (3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne?
(3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne has a molecular weight of 274.41 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,12Z,18Z)-henicosa-3,12,18-trien-1,8,10,20-tetrayne is sourced from PubChem (CID 10588409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).