6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne

C23H28 — CID 141149890

IUPAC6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne
SMILESC#CC(C#CC#CC)(C=CCCC)C(C=C)(C=CC)C=CCC
InChIInChI=1S/C23H28/c1-7-13-16-20-23(12-6,21-17-14-8-2)22(11-5,18-10-4)19-15-9-3/h6,10-11,15-16,18-20H,5,7,9,13H2,1-4H3
InChIKeyQTXPJIZLVZGNMF-UHFFFAOYSA-N
MW304.48 g/mol
LogP5.70
Rot. Bonds8

About 6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne

6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne (PubChem CID 141149890) has the molecular formula C23H28 and a molecular weight of 304.48 g/mol. Its IUPAC name is 6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne.

Molecular Properties

Compound Name6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne
PubChem CID141149890
Molecular FormulaC23H28
Molecular Weight304.48 g/mol
Exact Mass304.22
IUPAC Name6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne
SMILESC#CC(C#CC#CC)(C=CCCC)C(C=C)(C=CC)C=CCC
InChIInChI=1S/C23H28/c1-7-13-16-20-23(12-6,21-17-14-8-2)22(11-5,18-10-4)19-15-9-3/h6,10-11,15-16,18-20H,5,7,9,13H2,1-4H3
InChIKeyQTXPJIZLVZGNMF-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.48
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne with MolForge

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Launch Full Analysis

Related Compounds

(E)-4,4-dimethyloct-6-en-1-yne
CID 134973888
4-Tert-butyl-10-methylundeca-4,5,9-trien-2-yne
CID 20676890
4,7-Dimethyloct-5-en-1-yne
CID 57184871
5-Tert-butyl-5-ethenylnon-2-en-7-yne
CID 57225832
(4E)-3,3,4,5-tetramethylocta-1,4-dien-7-yne
CID 57264350
(E)-6,6-dimethylhept-3-en-1-yne
CID 58527512
(E)-2,2,8-trimethylnon-5-en-3-yne
CID 59001004
(6E,8S,10Z)-8-methyltrideca-6,10-dien-1,4-diyne
CID 59372849
(Z)-6,6-dimethylnon-2-en-7-yne
CID 59997520
5-But-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne
CID 90872387
3-Methyl-4-prop-1-enylundeca-1,7-dien-5-yne
CID 91356849
7-Ethyl-3,4-dimethyldeca-1,8-dien-5-yne
CID 91487021

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne?
The IUPAC name of 6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne (CID 141149890) is 6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne.
What is the SMILES notation for 6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne?
The canonical SMILES for 6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne is C#CC(C#CC#CC)(C=CCCC)C(C=C)(C=CC)C=CCC.
What is the InChIKey of 6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne?
The InChIKey is QTXPJIZLVZGNMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28/c1-7-13-16-20-23(12-6,21-17-14-8-2)22(11-5,18-10-4)19-15-9-3/h6,10-11,15-16,18-20H,5,7,9,13H2,1-4H3.
What are the key properties of 6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne?
6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne has a molecular weight of 304.48 g/mol, XLogP of 5.70, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethenylocta-2,5-dien-4-yl)-6-ethynylundec-7-en-2,4-diyne is sourced from PubChem (CID 141149890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).