7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne

C22H26 — CID 141201037

IUPAC7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne
SMILESC#CC(C#CC#CC)(C=C(C)C)C(C=C)(C=CC)C=CCC
InChIInChI=1S/C22H26/c1-8-13-15-18-22(12-5,19-20(6)7)21(11-4,16-10-3)17-14-9-2/h5,10-11,14,16-17,19H,4,9H2,1-3,6-7H3
InChIKeyZFCSQZXDIJLPGJ-UHFFFAOYSA-N
MW290.45 g/mol
LogP5.31
Rot. Bonds6

About 7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne

7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne (PubChem CID 141201037) has the molecular formula C22H26 and a molecular weight of 290.45 g/mol. Its IUPAC name is 7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne.

Molecular Properties

Compound Name7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne
PubChem CID141201037
Molecular FormulaC22H26
Molecular Weight290.45 g/mol
Exact Mass290.20
IUPAC Name7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne
SMILESC#CC(C#CC#CC)(C=C(C)C)C(C=C)(C=CC)C=CCC
InChIInChI=1S/C22H26/c1-8-13-15-18-22(12-5,19-20(6)7)21(11-4,16-10-3)17-14-9-2/h5,10-11,14,16-17,19H,4,9H2,1-3,6-7H3
InChIKeyZFCSQZXDIJLPGJ-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.45
LogP ≤ 55.31
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 7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne with MolForge

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Related Compounds

6-t-Butyl-2,2,9,9-tetramethyl-3,5-decadien-7-yne
CID 545422
(3E,5E,7Z)-5,8-ditert-butyl-2,2,11,11-tetramethyldodeca-3,5,7-trien-9-yne
CID 10871189
(E)-4,4-dimethyloct-6-en-1-yne
CID 134973888
Oct-3-ene-1,5-diyne, 3-t-butyl-7,7-dimethyl-
CID 5362777
3,5-Decadien-7-yne, 6-t-butyl-2,2,9,9-tetramethyl-
CID 5364982
(Z)-3-tert-butyl-7,7-dimethyloct-3-en-1,5-diyne
CID 6536842
4,4,9-Trimethyl-7-prop-2-enyldeca-1,7,8-trien-5-yne
CID 102235025
4-Tert-butyl-10-methylundeca-4,5,9-trien-2-yne
CID 20676890
(4E)-3,3,4,5-tetramethylocta-1,4-dien-7-yne
CID 57264350
(E)-6,6-dimethylhept-3-en-1-yne
CID 58527512
(5Z,9E)-9-ethylidene-5,6,7,7,8,8-hexamethyldodeca-5,11-dien-1-yne
CID 59970598
5-But-1-ynyl-4-ethyl-5-ethynyldec-2-en-6-yne
CID 90872387

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne?
The IUPAC name of 7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne (CID 141201037) is 7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne.
What is the SMILES notation for 7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne?
The canonical SMILES for 7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne is C#CC(C#CC#CC)(C=C(C)C)C(C=C)(C=CC)C=CCC.
What is the InChIKey of 7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne?
The InChIKey is ZFCSQZXDIJLPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26/c1-8-13-15-18-22(12-5,19-20(6)7)21(11-4,16-10-3)17-14-9-2/h5,10-11,14,16-17,19H,4,9H2,1-3,6-7H3.
What are the key properties of 7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne?
7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne has a molecular weight of 290.45 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-6-ethynyl-6-(2-methylprop-1-enyl)-7-prop-1-enylundec-8-en-2,4-diyne is sourced from PubChem (CID 141201037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).