tris[(E)-hex-1-enyl] phosphate

C18H33O4P — CID 141190497

IUPACtris[(E)-hex-1-enyl] phosphate
SMILESCCCC/C=C/OP(=O)(O/C=C/CCCC)O/C=C/CCCC
InChIInChI=1S/C18H33O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h13-18H,4-12H2,1-3H3/b16-13+,17-14+,18-15+
InChIKeyNNXMVUQUCHPTBV-NLCRRHETSA-N
MW344.43 g/mol
LogP7.26
Rot. Bonds15

About tris[(E)-hex-1-enyl] phosphate

tris[(E)-hex-1-enyl] phosphate (PubChem CID 141190497) has the molecular formula C18H33O4P and a molecular weight of 344.43 g/mol. Its IUPAC name is tris[(E)-hex-1-enyl] phosphate.

Molecular Properties

Compound Nametris[(E)-hex-1-enyl] phosphate
PubChem CID141190497
Molecular FormulaC18H33O4P
Molecular Weight344.43 g/mol
Exact Mass344.21
IUPAC Nametris[(E)-hex-1-enyl] phosphate
SMILESCCCC/C=C/OP(=O)(O/C=C/CCCC)O/C=C/CCCC
InChIInChI=1S/C18H33O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h13-18H,4-12H2,1-3H3/b16-13+,17-14+,18-15+
InChIKeyNNXMVUQUCHPTBV-NLCRRHETSA-N
XLogP7.26
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.43
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tris[(E)-undec-1-enyl] phosphate
CID 88689408
tris(tetradec-1-enyl) phosphate
CID 139967616
[(E)-hex-1-enyl] dihydrogen phosphate
CID 19800837
tris[(1E,3E)-octadeca-1,3-dienyl] phosphate
CID 129138291
bis(hept-1-enyl) hydrogen phosphate
CID 54526218
[(E)-non-1-enyl] dihydrogen phosphate
CID 19800808
bis(hept-1-enyl) hydrogen phosphate;bis(non-1-enyl) hydrogen phosphate;bis(oct-1-enyl) hydrogen phosphate
CID 160525345
3-chloropropyl hydroxy octadec-1-enyl phosphate
CID 173400912
ethoxyethane;[(E)-octadec-1-enyl] dihydrogen phosphate
CID 88647688
(E)-1-[chloro-[(E)-hept-1-enyl]sulfanylphosphoryl]oxyhept-1-ene
CID 87901447
1-ethoxyhex-1-ene
CID 53422434
potassium;3-chloropropyl hydroxy octadec-1-enyl phosphate;hydride
CID 173400911

Frequently Asked Questions

What is the IUPAC name of tris[(E)-hex-1-enyl] phosphate?
The IUPAC name of tris[(E)-hex-1-enyl] phosphate (CID 141190497) is tris[(E)-hex-1-enyl] phosphate.
What is the SMILES notation for tris[(E)-hex-1-enyl] phosphate?
The canonical SMILES for tris[(E)-hex-1-enyl] phosphate is CCCC/C=C/OP(=O)(O/C=C/CCCC)O/C=C/CCCC.
What is the InChIKey of tris[(E)-hex-1-enyl] phosphate?
The InChIKey is NNXMVUQUCHPTBV-NLCRRHETSA-N. The full InChI is InChI=1S/C18H33O4P/c1-4-7-10-13-16-20-23(19,21-17-14-11-8-5-2)22-18-15-12-9-6-3/h13-18H,4-12H2,1-3H3/b16-13+,17-14+,18-15+.
What are the key properties of tris[(E)-hex-1-enyl] phosphate?
tris[(E)-hex-1-enyl] phosphate has a molecular weight of 344.43 g/mol, XLogP of 7.26, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tris[(E)-hex-1-enyl] phosphate is sourced from PubChem (CID 141190497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).