(12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne

C21H20 — CID 10778600

IUPAC(12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne
SMILESC#CC#CCCCC#CC#C/C=C\CCCC/C=C\C#C
InChIInChI=1S/C21H20/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h1-2,5,7,17,19H,9-15H2/b7-5-,19-17-
InChIKeyBZASOWOKZUQCSW-PICUFFSDSA-N
MW272.39 g/mol
LogP4.11
Rot. Bonds7

About (12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne

(12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne (PubChem CID 10778600) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is (12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne.

Molecular Properties

Compound Name(12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne
PubChem CID10778600
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name(12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne
SMILESC#CC#CCCCC#CC#C/C=C\CCCC/C=C\C#C
InChIInChI=1S/C21H20/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h1-2,5,7,17,19H,9-15H2/b7-5-,19-17-
InChIKeyBZASOWOKZUQCSW-PICUFFSDSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.11
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 (12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne?
The IUPAC name of (12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne (CID 10778600) is (12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne.
What is the SMILES notation for (12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne?
The canonical SMILES for (12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne is C#CC#CCCCC#CC#C/C=C\CCCC/C=C\C#C.
What is the InChIKey of (12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne?
The InChIKey is BZASOWOKZUQCSW-PICUFFSDSA-N. The full InChI is InChI=1S/C21H20/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h1-2,5,7,17,19H,9-15H2/b7-5-,19-17-.
What are the key properties of (12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne?
(12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne has a molecular weight of 272.39 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (12Z,18Z)-henicosa-12,18-dien-1,3,8,10,20-pentayne is sourced from PubChem (CID 10778600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).