tributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane

C25H47P — CID 134886762

IUPACtributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane
SMILESC=C(C)/C=C/C[C@@H](C)/C=C(\C=P(CCCC)(CCCC)CCCC)CC
InChIInChI=1S/C25H47P/c1-8-12-18-26(19-13-9-2,20-14-10-3)22-25(11-4)21-24(7)17-15-16-23(5)6/h15-16,21-22,24H,5,8-14,17-20H2,1-4,6-7H3/b16-15+,25-21-/t24-/m1/s1
InChIKeyHUYPIBURHYDGNM-PCIHGMOQSA-N
MW378.63 g/mol
LogP8.70
Rot. Bonds15

About tributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane

tributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane (PubChem CID 134886762) has the molecular formula C25H47P and a molecular weight of 378.63 g/mol. Its IUPAC name is tributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane.

Molecular Properties

Compound Nametributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane
PubChem CID134886762
Molecular FormulaC25H47P
Molecular Weight378.63 g/mol
Exact Mass378.34
IUPAC Nametributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane
SMILESC=C(C)/C=C/C[C@@H](C)/C=C(\C=P(CCCC)(CCCC)CCCC)CC
InChIInChI=1S/C25H47P/c1-8-12-18-26(19-13-9-2,20-14-10-3)22-25(11-4)21-24(7)17-15-16-23(5)6/h15-16,21-22,24H,5,8-14,17-20H2,1-4,6-7H3/b16-15+,25-21-/t24-/m1/s1
InChIKeyHUYPIBURHYDGNM-PCIHGMOQSA-N
XLogP8.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.63
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 tributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane?
The IUPAC name of tributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane (CID 134886762) is tributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane.
What is the SMILES notation for tributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane?
The canonical SMILES for tributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane is C=C(C)/C=C/C[C@@H](C)/C=C(\C=P(CCCC)(CCCC)CCCC)CC.
What is the InChIKey of tributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane?
The InChIKey is HUYPIBURHYDGNM-PCIHGMOQSA-N. The full InChI is InChI=1S/C25H47P/c1-8-12-18-26(19-13-9-2,20-14-10-3)22-25(11-4)21-24(7)17-15-16-23(5)6/h15-16,21-22,24H,5,8-14,17-20H2,1-4,6-7H3/b16-15+,25-21-/t24-/m1/s1.
What are the key properties of tributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane?
tributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane has a molecular weight of 378.63 g/mol, XLogP of 8.70, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl-[(2Z,4R,6E)-2-ethyl-4,8-dimethylnona-2,6,8-trienylidene]-λ5-phosphane is sourced from PubChem (CID 134886762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).