(7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne

C24H34 — CID 101258557

IUPAC(7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne
SMILESCCCCCC/C=C/C=C/C#CC#C/C=C/C=C/CCCCCC
InChIInChI=1S/C24H34/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h13-20H,3-12H2,1-2H3/b15-13+,16-14+,19-17+,20-18+
InChIKeyUNCKBPRPAUDQRF-FHIARWJISA-N
MW322.54 g/mol
LogP7.16
Rot. Bonds12

About (7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne

(7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne (PubChem CID 101258557) has the molecular formula C24H34 and a molecular weight of 322.54 g/mol. Its IUPAC name is (7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne.

Molecular Properties

Compound Name(7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne
PubChem CID101258557
Molecular FormulaC24H34
Molecular Weight322.54 g/mol
Exact Mass322.27
IUPAC Name(7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne
SMILESCCCCCC/C=C/C=C/C#CC#C/C=C/C=C/CCCCCC
InChIInChI=1S/C24H34/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h13-20H,3-12H2,1-2H3/b15-13+,16-14+,19-17+,20-18+
InChIKeyUNCKBPRPAUDQRF-FHIARWJISA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.54
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne with MolForge

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Related Compounds

(22E)-heptatetraconta-22,24-diene
CID 56629131
(3S,8E,10E)-heptadeca-1,8,10-trien-4,6-diyn-3-ol
CID 162999782
(5E,7E)-hexadeca-5,7-diene
CID 13032294
(5Z,7Z)-pentadeca-5,7-diene
CID 14270938
(2E,4Z,6Z)-octadeca-2,4,6-trienenitrile
CID 21158547
(4E,6E,8Z)-icosa-4,6,8-trien-2-ynoic acid
CID 88835250
(6E)-octadeca-4,6-diene
CID 173243345
(1Z,8Z,10E)-pentadeca-1,8,10-trien-4,6-diyn-1-ol
CID 141351102
(E)-octadec-7-en-9,11-diyne
CID 101092836
(8E,10E,12E)-heptadeca-8,10,12-trien-4,6-diyn-1-ol
CID 5315864
(4E,6E)-1-chlorohexadeca-4,6-diene
CID 132820251
pentadeca-2,8,10-trien-4,6-diynyl acetate
CID 162933656

Frequently Asked Questions

What is the IUPAC name of (7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne?
The IUPAC name of (7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne (CID 101258557) is (7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne.
What is the SMILES notation for (7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne?
The canonical SMILES for (7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne is CCCCCC/C=C/C=C/C#CC#C/C=C/C=C/CCCCCC.
What is the InChIKey of (7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne?
The InChIKey is UNCKBPRPAUDQRF-FHIARWJISA-N. The full InChI is InChI=1S/C24H34/c1-3-5-7-9-11-13-15-17-19-21-23-24-22-20-18-16-14-12-10-8-6-4-2/h13-20H,3-12H2,1-2H3/b15-13+,16-14+,19-17+,20-18+.
What are the key properties of (7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne?
(7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne has a molecular weight of 322.54 g/mol, XLogP of 7.16, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9E,15E,17E)-tetracosa-7,9,15,17-tetraen-11,13-diyne is sourced from PubChem (CID 101258557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).