[(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane

C16H28P2 — CID 170052136

IUPAC[(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane
SMILESC=C/C=C(\C=C(/C=C)C(PC)PCC)C(C)(C)C
InChIInChI=1S/C16H28P2/c1-8-11-14(16(4,5)6)12-13(9-2)15(17-7)18-10-3/h8-9,11-12,15,17-18H,1-2,10H2,3-7H3/b13-12+,14-11+
InChIKeyKRDNFOUYNCCART-UIGAKZAYSA-N
MW282.35 g/mol
LogP5.59
Rot. Bonds7

About [(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane

[(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane (PubChem CID 170052136) has the molecular formula C16H28P2 and a molecular weight of 282.35 g/mol. Its IUPAC name is [(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane.

Molecular Properties

Compound Name[(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane
PubChem CID170052136
Molecular FormulaC16H28P2
Molecular Weight282.35 g/mol
Exact Mass282.17
IUPAC Name[(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane
SMILESC=C/C=C(\C=C(/C=C)C(PC)PCC)C(C)(C)C
InChIInChI=1S/C16H28P2/c1-8-11-14(16(4,5)6)12-13(9-2)15(17-7)18-10-3/h8-9,11-12,15,17-18H,1-2,10H2,3-7H3/b13-12+,14-11+
InChIKeyKRDNFOUYNCCART-UIGAKZAYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.35
LogP ≤ 55.59
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 [(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane?
The IUPAC name of [(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane (CID 170052136) is [(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane.
What is the SMILES notation for [(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane?
The canonical SMILES for [(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane is C=C/C=C(\C=C(/C=C)C(PC)PCC)C(C)(C)C.
What is the InChIKey of [(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane?
The InChIKey is KRDNFOUYNCCART-UIGAKZAYSA-N. The full InChI is InChI=1S/C16H28P2/c1-8-11-14(16(4,5)6)12-13(9-2)15(17-7)18-10-3/h8-9,11-12,15,17-18H,1-2,10H2,3-7H3/b13-12+,14-11+.
What are the key properties of [(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane?
[(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane has a molecular weight of 282.35 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4E)-4-tert-butyl-2-ethenyl-1-ethylphosphanylhepta-2,4,6-trienyl]-methylphosphane is sourced from PubChem (CID 170052136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).