oct-1-en-4-yl-tris(prop-2-enyl)phosphanium

C17H30P+ — CID 87404524

IUPACoct-1-en-4-yl-tris(prop-2-enyl)phosphanium
SMILESC=CCC(CCCC)[P+](CC=C)(CC=C)CC=C
InChIInChI=1S/C17H30P/c1-6-11-13-17(12-7-2)18(14-8-3,15-9-4)16-10-5/h7-10,17H,2-6,11-16H2,1H3/q+1
InChIKeyBUTJPQBFGMYMJK-UHFFFAOYSA-N
MW265.40 g/mol
LogP5.70
Rot. Bonds12

About oct-1-en-4-yl-tris(prop-2-enyl)phosphanium

oct-1-en-4-yl-tris(prop-2-enyl)phosphanium (PubChem CID 87404524) has the molecular formula C17H30P+ and a molecular weight of 265.40 g/mol. Its IUPAC name is oct-1-en-4-yl-tris(prop-2-enyl)phosphanium.

Molecular Properties

Compound Nameoct-1-en-4-yl-tris(prop-2-enyl)phosphanium
PubChem CID87404524
Molecular FormulaC17H30P+
Molecular Weight265.40 g/mol
Exact Mass265.21
IUPAC Nameoct-1-en-4-yl-tris(prop-2-enyl)phosphanium
SMILESC=CCC(CCCC)[P+](CC=C)(CC=C)CC=C
InChIInChI=1S/C17H30P/c1-6-11-13-17(12-7-2)18(14-8-3,15-9-4)16-10-5/h7-10,17H,2-6,11-16H2,1H3/q+1
InChIKeyBUTJPQBFGMYMJK-UHFFFAOYSA-N
XLogP5.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.70
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'}

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Related Compounds

(4S)-4-ethyloct-1-ene
CID 129373406
methane;(4R)-4-propan-2-yloct-1-ene
CID 159803024
5-prop-2-enyl-4-propyldec-1-ene
CID 173236567
4-oct-1-en-4-ylperoxyoct-1-ene
CID 87401104
5-ethyl-4-methylnon-1-ene
CID 22027489
oct-1-en-4-ylboronic acid
CID 87441158
4-prop-2-enylpentadec-1-ene
CID 54427529
17-prop-2-enyltetratriacontane
CID 173452630
5-prop-2-enylnona-1,3-diene
CID 91355229
7-methylundec-1-ene
CID 522554
4-propan-2-ylnon-1-ene
CID 173177475
5-prop-2-enylnonan-2-ol
CID 91603961

Frequently Asked Questions

What is the IUPAC name of oct-1-en-4-yl-tris(prop-2-enyl)phosphanium?
The IUPAC name of oct-1-en-4-yl-tris(prop-2-enyl)phosphanium (CID 87404524) is oct-1-en-4-yl-tris(prop-2-enyl)phosphanium.
What is the SMILES notation for oct-1-en-4-yl-tris(prop-2-enyl)phosphanium?
The canonical SMILES for oct-1-en-4-yl-tris(prop-2-enyl)phosphanium is C=CCC(CCCC)[P+](CC=C)(CC=C)CC=C.
What is the InChIKey of oct-1-en-4-yl-tris(prop-2-enyl)phosphanium?
The InChIKey is BUTJPQBFGMYMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30P/c1-6-11-13-17(12-7-2)18(14-8-3,15-9-4)16-10-5/h7-10,17H,2-6,11-16H2,1H3/q+1.
What are the key properties of oct-1-en-4-yl-tris(prop-2-enyl)phosphanium?
oct-1-en-4-yl-tris(prop-2-enyl)phosphanium has a molecular weight of 265.40 g/mol, XLogP of 5.70, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for oct-1-en-4-yl-tris(prop-2-enyl)phosphanium is sourced from PubChem (CID 87404524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).