1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene

C20H31O3P — CID 101430147

IUPAC1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene
SMILESC=CCCCCCCCCOP(=O)(OCC)c1ccccc1C=C
InChIInChI=1S/C20H31O3P/c1-4-7-8-9-10-11-12-15-18-23-24(21,22-6-3)20-17-14-13-16-19(20)5-2/h4-5,13-14,16-17H,1-2,6-12,15,18H2,3H3
InChIKeyZAIVVRPXKHQFHV-UHFFFAOYSA-N
MW350.44 g/mol
LogP6.12
Rot. Bonds14

About 1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene

1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene (PubChem CID 101430147) has the molecular formula C20H31O3P and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene.

Molecular Properties

Compound Name1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene
PubChem CID101430147
Molecular FormulaC20H31O3P
Molecular Weight350.44 g/mol
Exact Mass350.20
IUPAC Name1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene
SMILESC=CCCCCCCCCOP(=O)(OCC)c1ccccc1C=C
InChIInChI=1S/C20H31O3P/c1-4-7-8-9-10-11-12-15-18-23-24(21,22-6-3)20-17-14-13-16-19(20)5-2/h4-5,13-14,16-17H,1-2,6-12,15,18H2,3H3
InChIKeyZAIVVRPXKHQFHV-UHFFFAOYSA-N
XLogP6.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.44
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-diethoxyphosphorylbenzaldehyde;toluene
CID 161160317
icosyl bis(tridec-12-enyl) phosphate
CID 156683093
1-ethyl-2-hept-6-enoxybenzene
CID 107010566
1-dibutoxyphosphoryl-2-methylbenzene
CID 12828370
dec-9-enoxymethylbenzene
CID 91868068
ethoxy(undec-10-enyl)phosphinate
CID 71356470
1-ethenyl-2-heptadecoxybenzene
CID 139672731
ethoxy(hept-6-enyl)phosphinic acid
CID 57098735
di(tridecoxy)phosphorylbenzene
CID 87531060
1-diethoxyphosphoryl-2-[2-[2-(2-diethoxyphosphorylphenoxy)ethoxy]ethoxy]benzene
CID 14246803
2-O-pent-4-enyl 1-O-tridecyl benzene-1,2-dicarboxylate
CID 91719806
1-O-octyl 2-O-pent-4-enyl benzene-1,2-dicarboxylate
CID 91719826

Frequently Asked Questions

What is the IUPAC name of 1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene?
The IUPAC name of 1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene (CID 101430147) is 1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene.
What is the SMILES notation for 1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene?
The canonical SMILES for 1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene is C=CCCCCCCCCOP(=O)(OCC)c1ccccc1C=C.
What is the InChIKey of 1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene?
The InChIKey is ZAIVVRPXKHQFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31O3P/c1-4-7-8-9-10-11-12-15-18-23-24(21,22-6-3)20-17-14-13-16-19(20)5-2/h4-5,13-14,16-17H,1-2,6-12,15,18H2,3H3.
What are the key properties of 1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene?
1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene has a molecular weight of 350.44 g/mol, XLogP of 6.12, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dec-9-enoxy(ethoxy)phosphoryl]-2-ethenylbenzene is sourced from PubChem (CID 101430147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).