[ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene

C17H27O3P — CID 134932705

IUPAC[ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene
SMILESC=C(CCCCCC)OP(=O)(Cc1ccccc1)OCC
InChIInChI=1S/C17H27O3P/c1-4-6-7-9-12-16(3)20-21(18,19-5-2)15-17-13-10-8-11-14-17/h8,10-11,13-14H,3-7,9,12,15H2,1-2H3
InChIKeyBCOSOSLWAWCEIQ-UHFFFAOYSA-N
MW310.37 g/mol
LogP5.92
Rot. Bonds11

About [ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene

[ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene (PubChem CID 134932705) has the molecular formula C17H27O3P and a molecular weight of 310.37 g/mol. Its IUPAC name is [ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene.

Molecular Properties

Compound Name[ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene
PubChem CID134932705
Molecular FormulaC17H27O3P
Molecular Weight310.37 g/mol
Exact Mass310.17
IUPAC Name[ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene
SMILESC=C(CCCCCC)OP(=O)(Cc1ccccc1)OCC
InChIInChI=1S/C17H27O3P/c1-4-6-7-9-12-16(3)20-21(18,19-5-2)15-17-13-10-8-11-14-17/h8,10-11,13-14H,3-7,9,12,15H2,1-2H3
InChIKeyBCOSOSLWAWCEIQ-UHFFFAOYSA-N
XLogP5.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.37
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze [ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[ethoxy(1-phenylethenoxy)phosphoryl]methylbenzene
CID 11324093
benzyl(octoxy)phosphinic acid
CID 57273466
benzyl [benzyl(butoxy)phosphoryl] carbonate
CID 174406091
non-1-en-2-yl benzoate
CID 18421349
ethyl (2R)-2-benzyl-3-oxononanoate
CID 102294335
1-[benzyl(ethoxy)phosphoryl]oxy-4-methoxybenzene
CID 137470189
oct-1-en-2-yl(triphenyl)phosphanium
CID 101022395
diethoxy(oxo)phosphanium;1-(diethoxyphosphorylmethyl)-4-dodecylbenzene
CID 174791343
1-[2-[ethoxy(5-phenylpent-1-en-2-yloxy)phosphoryl]ethynyl]-4-methylbenzene
CID 118218008
[chloro(ethoxy)phosphoryl]methylbenzene
CID 12634157
2-diethoxyphosphorylethylbenzene
CID 3448525
N,N-dibenzyl-2-diethoxyphosphorylacetamide
CID 11100843

Frequently Asked Questions

What is the IUPAC name of [ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene?
The IUPAC name of [ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene (CID 134932705) is [ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene.
What is the SMILES notation for [ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene?
The canonical SMILES for [ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene is C=C(CCCCCC)OP(=O)(Cc1ccccc1)OCC.
What is the InChIKey of [ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene?
The InChIKey is BCOSOSLWAWCEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27O3P/c1-4-6-7-9-12-16(3)20-21(18,19-5-2)15-17-13-10-8-11-14-17/h8,10-11,13-14H,3-7,9,12,15H2,1-2H3.
What are the key properties of [ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene?
[ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene has a molecular weight of 310.37 g/mol, XLogP of 5.92, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy(oct-1-en-2-yloxy)phosphoryl]methylbenzene is sourced from PubChem (CID 134932705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).