(2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene

C21H18 — CID 59236022

IUPAC(2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene
SMILESC1=CCC2=C(C=C1)C1=C3C(=C\C=C/C=C\1)/C=C\C/C=C\C23
InChIInChI=1S/C21H18/c1-4-10-16-11-5-2-9-15-20-18-13-7-3-6-12-17(18)19(14-8-1)21(16)20/h1,3-12,14-15,20H,2,13H2/b4-1-,8-1-,10-4-,11-5-,14-8-,15-9-,16-10-,19-14-,21-16-
InChIKeyNWIZUAWKAOXAFF-APDJMEAVSA-N
MW270.38 g/mol
LogP5.29
Rot. Bonds

About (2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene

(2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene (PubChem CID 59236022) has the molecular formula C21H18 and a molecular weight of 270.38 g/mol. Its IUPAC name is (2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene.

Molecular Properties

Compound Name(2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene
PubChem CID59236022
Molecular FormulaC21H18
Molecular Weight270.38 g/mol
Exact Mass270.14
IUPAC Name(2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene
SMILESC1=CCC2=C(C=C1)C1=C3C(=C\C=C/C=C\1)/C=C\C/C=C\C23
InChIInChI=1S/C21H18/c1-4-10-16-11-5-2-9-15-20-18-13-7-3-6-12-17(18)19(14-8-1)21(16)20/h1,3-12,14-15,20H,2,13H2/b4-1-,8-1-,10-4-,11-5-,14-8-,15-9-,16-10-,19-14-,21-16-
InChIKeyNWIZUAWKAOXAFF-APDJMEAVSA-N
XLogP5.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.38
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene with MolForge

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Related Compounds

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CID 159591609
cyclohexadeca-2,4,6,8,10,12,14-heptaen-1-one
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(1Z,3Z,5Z,7Z,11Z,13Z,15Z)-8-(4-methylcyclohexyl)cycloheptadeca-1,3,5,7,9,11,13,15-octaene
CID 163936414
(2Z,4Z,7Z)-cycloocta-2,4,7-trien-1-one
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CID 173381245
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CID 19888185
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CID 144597097

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene?
The IUPAC name of (2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene (CID 59236022) is (2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene.
What is the SMILES notation for (2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene?
The canonical SMILES for (2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene is C1=CCC2=C(C=C1)C1=C3C(=C\C=C/C=C\1)/C=C\C/C=C\C23.
What is the InChIKey of (2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene?
The InChIKey is NWIZUAWKAOXAFF-APDJMEAVSA-N. The full InChI is InChI=1S/C21H18/c1-4-10-16-11-5-2-9-15-20-18-13-7-3-6-12-17(18)19(14-8-1)21(16)20/h1,3-12,14-15,20H,2,13H2/b4-1-,8-1-,10-4-,11-5-,14-8-,15-9-,16-10-,19-14-,21-16-.
What are the key properties of (2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene?
(2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene has a molecular weight of 270.38 g/mol, XLogP of 5.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6Z,8Z,11Z)-tetracyclo[11.7.1.07,21.014,20]henicosa-1(21),2,4,6,8,11,14(20),16,18-nonaene is sourced from PubChem (CID 59236022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).