[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane

C17H31P — CID 50905460

IUPAC[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane
SMILESCC(C)=CCC/C(C)=C/C=C/P(C(C)C)C(C)C
InChIInChI=1S/C17H31P/c1-14(2)10-8-11-17(7)12-9-13-18(15(3)4)16(5)6/h9-10,12-13,15-16H,8,11H2,1-7H3/b13-9+,17-12+
InChIKeyJQJZCNUXDJPIKA-PPIKXHHKSA-N
MW266.41 g/mol
LogP6.49
Rot. Bonds7

About [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane

[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane (PubChem CID 50905460) has the molecular formula C17H31P and a molecular weight of 266.41 g/mol. Its IUPAC name is [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane.

Molecular Properties

Compound Name[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane
PubChem CID50905460
Molecular FormulaC17H31P
Molecular Weight266.41 g/mol
Exact Mass266.22
IUPAC Name[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane
SMILESCC(C)=CCC/C(C)=C/C=C/P(C(C)C)C(C)C
InChIInChI=1S/C17H31P/c1-14(2)10-8-11-17(7)12-9-13-18(15(3)4)16(5)6/h9-10,12-13,15-16H,8,11H2,1-7H3/b13-9+,17-12+
InChIKeyJQJZCNUXDJPIKA-PPIKXHHKSA-N
XLogP6.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.41
LogP ≤ 56.49
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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Related Compounds

2,6,10,11-tetramethyldodeca-2,6,8-triene
CID 123796118
3,7,11-trimethyldodeca-4,6,10-trien-2-one
CID 91406530
3,7,11-trimethyldodeca-1,4,6,10-tetraen-2-ol
CID 74014383
2,6,10,14,18,23,27,31,35-nonamethylhexatriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28,30,34-pentadecaene
CID 123174328
(6E,8E,10Z,12E,14Z,16E,18Z,20E,22Z,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene
CID 21145326
2,8,12-trimethyltrideca-5,7,11-trien-4-one
CID 54329025
[(3E)-4,8-dimethylnona-1,3,7-trienoxy]-(4,8-dimethylnona-1,3,7-trienoxy)-oxophosphanium
CID 173398295
3,7-dimethylocta-2,6-dienal
CID 8843
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene
CID 73229485
(4E,6E,8E,10E,12E,14E,16E,18E)-2,6,11,15,19,23-hexamethyltetracosa-2,4,6,8,10,12,14,16,18,22-decaene
CID 58079855
2,6,10,14,19,23,27,31-octamethyldotriaconta-2,4,6,8,10,12,14,16,18,20,22,24,26,30-tetradecaene
CID 53395140
3,7,11,15-tetramethylhexadeca-2,4,6,8,10,14-hexaene
CID 123202578

Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane?
The IUPAC name of [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane (CID 50905460) is [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane.
What is the SMILES notation for [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane?
The canonical SMILES for [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane is CC(C)=CCC/C(C)=C/C=C/P(C(C)C)C(C)C.
What is the InChIKey of [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane?
The InChIKey is JQJZCNUXDJPIKA-PPIKXHHKSA-N. The full InChI is InChI=1S/C17H31P/c1-14(2)10-8-11-17(7)12-9-13-18(15(3)4)16(5)6/h9-10,12-13,15-16H,8,11H2,1-7H3/b13-9+,17-12+.
What are the key properties of [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane?
[(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane has a molecular weight of 266.41 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-4,8-dimethylnona-1,3,7-trienyl]-di(propan-2-yl)phosphane is sourced from PubChem (CID 50905460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).