(1Z,9E,17E)-cyclotetracosa-1,9,17-triene

C24H42 — CID 153422638

IUPAC(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
SMILESC1=C\CCCCCC/C=C/CCCCCC/C=C/CCCCCC/1
InChIInChI=1S/C24H42/c1-2-4-6-8-10-12-14-16-18-20-22-24-23-21-19-17-15-13-11-9-7-5-3-1/h1-2,15-18H,3-14,19-24H2/b2-1-,17-15+,18-16+
InChIKeyVPBPFAIWNCCMAY-CEADCVRVSA-N
MW330.60 g/mol
LogP8.69
Rot. Bonds

About (1Z,9E,17E)-cyclotetracosa-1,9,17-triene

(1Z,9E,17E)-cyclotetracosa-1,9,17-triene (PubChem CID 153422638) has the molecular formula C24H42 and a molecular weight of 330.60 g/mol. Its IUPAC name is (1Z,9E,17E)-cyclotetracosa-1,9,17-triene.

Molecular Properties

Compound Name(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
PubChem CID153422638
Molecular FormulaC24H42
Molecular Weight330.60 g/mol
Exact Mass330.33
IUPAC Name(1Z,9E,17E)-cyclotetracosa-1,9,17-triene
SMILESC1=C\CCCCCC/C=C/CCCCCC/C=C/CCCCCC/1
InChIInChI=1S/C24H42/c1-2-4-6-8-10-12-14-16-18-20-22-24-23-21-19-17-15-13-11-9-7-5-3-1/h1-2,15-18H,3-14,19-24H2/b2-1-,17-15+,18-16+
InChIKeyVPBPFAIWNCCMAY-CEADCVRVSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.60
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,9E,17E)-cyclotetracosa-1,9,17-triene?
The IUPAC name of (1Z,9E,17E)-cyclotetracosa-1,9,17-triene (CID 153422638) is (1Z,9E,17E)-cyclotetracosa-1,9,17-triene.
What is the SMILES notation for (1Z,9E,17E)-cyclotetracosa-1,9,17-triene?
The canonical SMILES for (1Z,9E,17E)-cyclotetracosa-1,9,17-triene is C1=C\CCCCCC/C=C/CCCCCC/C=C/CCCCCC/1.
What is the InChIKey of (1Z,9E,17E)-cyclotetracosa-1,9,17-triene?
The InChIKey is VPBPFAIWNCCMAY-CEADCVRVSA-N. The full InChI is InChI=1S/C24H42/c1-2-4-6-8-10-12-14-16-18-20-22-24-23-21-19-17-15-13-11-9-7-5-3-1/h1-2,15-18H,3-14,19-24H2/b2-1-,17-15+,18-16+.
What are the key properties of (1Z,9E,17E)-cyclotetracosa-1,9,17-triene?
(1Z,9E,17E)-cyclotetracosa-1,9,17-triene has a molecular weight of 330.60 g/mol, XLogP of 8.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,9E,17E)-cyclotetracosa-1,9,17-triene is sourced from PubChem (CID 153422638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).