[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane

C24H33P — CID 143113218

IUPAC[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane
SMILESC=CC/C=C\C(=C/C)P(/C1=C/CCC/C=C\C1)c1ccccc1.CC
InChIInChI=1S/C22H27P.C2H6/c1-3-5-10-15-20(4-2)23(22-18-13-9-14-19-22)21-16-11-7-6-8-12-17-21;1-2/h3-4,7,9-11,13-15,17-19H,1,5-6,8,12,16H2,2H3;1-2H3/b11-7-,15-10-,20-4+,21-17+;
InChIKeyUWFXRINCKOUGCZ-IRYOXULYSA-N
MW352.50 g/mol
LogP7.87
Rot. Bonds6

About [(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane

[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane (PubChem CID 143113218) has the molecular formula C24H33P and a molecular weight of 352.50 g/mol. Its IUPAC name is [(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane.

Molecular Properties

Compound Name[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane
PubChem CID143113218
Molecular FormulaC24H33P
Molecular Weight352.50 g/mol
Exact Mass352.23
IUPAC Name[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane
SMILESC=CC/C=C\C(=C/C)P(/C1=C/CCC/C=C\C1)c1ccccc1.CC
InChIInChI=1S/C22H27P.C2H6/c1-3-5-10-15-20(4-2)23(22-18-13-9-14-19-22)21-16-11-7-6-8-12-17-21;1-2/h3-4,7,9-11,13-15,17-19H,1,5-6,8,12,16H2,2H3;1-2H3/b11-7-,15-10-,20-4+,21-17+;
InChIKeyUWFXRINCKOUGCZ-IRYOXULYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane?
The IUPAC name of [(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane (CID 143113218) is [(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane.
What is the SMILES notation for [(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane?
The canonical SMILES for [(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane is C=CC/C=C\C(=C/C)P(/C1=C/CCC/C=C\C1)c1ccccc1.CC.
What is the InChIKey of [(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane?
The InChIKey is UWFXRINCKOUGCZ-IRYOXULYSA-N. The full InChI is InChI=1S/C22H27P.C2H6/c1-3-5-10-15-20(4-2)23(22-18-13-9-14-19-22)21-16-11-7-6-8-12-17-21;1-2/h3-4,7,9-11,13-15,17-19H,1,5-6,8,12,16H2,2H3;1-2H3/b11-7-,15-10-,20-4+,21-17+;.
What are the key properties of [(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane?
[(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane has a molecular weight of 352.50 g/mol, XLogP of 7.87, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,6Z)-cycloocta-1,6-dien-1-yl]-[(2E,4Z)-octa-2,4,7-trien-3-yl]-phenylphosphane;ethane is sourced from PubChem (CID 143113218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).