(1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene

C30H48 — CID 153280933

IUPAC(1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene
SMILESC/C1=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC1
InChIInChI=1S/C30H48/c1-25-13-7-15-26(2)17-9-19-28(4)21-11-23-30(6)24-12-22-29(5)20-10-18-27(3)16-8-14-25/h13,16-17,20-21,24H,7-12,14-15,18-19,22-23H2,1-6H3/b25-13-,26-17-,27-16-,28-21-,29-20-,30-24-
InChIKeyWSUOURBTDCUBEX-YPOQHXKCSA-N
MW408.71 g/mol
LogP10.36
Rot. Bonds

About (1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene

(1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene (PubChem CID 153280933) has the molecular formula C30H48 and a molecular weight of 408.71 g/mol. Its IUPAC name is (1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene.

Molecular Properties

Compound Name(1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene
PubChem CID153280933
Molecular FormulaC30H48
Molecular Weight408.71 g/mol
Exact Mass408.38
IUPAC Name(1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene
SMILESC/C1=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC1
InChIInChI=1S/C30H48/c1-25-13-7-15-26(2)17-9-19-28(4)21-11-23-30(6)24-12-22-29(5)20-10-18-27(3)16-8-14-25/h13,16-17,20-21,24H,7-12,14-15,18-19,22-23H2,1-6H3/b25-13-,26-17-,27-16-,28-21-,29-20-,30-24-
InChIKeyWSUOURBTDCUBEX-YPOQHXKCSA-N
XLogP10.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.71
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 9963391

Frequently Asked Questions

What is the IUPAC name of (1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene?
The IUPAC name of (1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene (CID 153280933) is (1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene.
What is the SMILES notation for (1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene?
The canonical SMILES for (1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene is C/C1=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC1.
What is the InChIKey of (1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene?
The InChIKey is WSUOURBTDCUBEX-YPOQHXKCSA-N. The full InChI is InChI=1S/C30H48/c1-25-13-7-15-26(2)17-9-19-28(4)21-11-23-30(6)24-12-22-29(5)20-10-18-27(3)16-8-14-25/h13,16-17,20-21,24H,7-12,14-15,18-19,22-23H2,1-6H3/b25-13-,26-17-,27-16-,28-21-,29-20-,30-24-.
What are the key properties of (1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene?
(1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene has a molecular weight of 408.71 g/mol, XLogP of 10.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,5Z,9Z,13Z,17Z,21Z)-1,5,9,13,17,21-hexamethylcyclotetracosa-1,5,9,13,17,21-hexaene is sourced from PubChem (CID 153280933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).