1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane

C28H56O6P2 — CID 156751885

IUPAC1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane
SMILESC=CP(=O)(OCCCCC)OCCCCCCCCCCCCCCOP(=O)(C=C)OCCCCC
InChIInChI=1S/C28H56O6P2/c1-5-9-21-25-31-35(29,7-3)33-27-23-19-17-15-13-11-12-14-16-18-20-24-28-34-36(30,8-4)32-26-22-10-6-2/h7-8H,3-6,9-28H2,1-2H3
InChIKeyRIOGFILSAZELKI-UHFFFAOYSA-N
MW550.70 g/mol
LogP10.79
Rot. Bonds29

About 1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane

1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane (PubChem CID 156751885) has the molecular formula C28H56O6P2 and a molecular weight of 550.70 g/mol. Its IUPAC name is 1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane.

Molecular Properties

Compound Name1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane
PubChem CID156751885
Molecular FormulaC28H56O6P2
Molecular Weight550.70 g/mol
Exact Mass550.36
IUPAC Name1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane
SMILESC=CP(=O)(OCCCCC)OCCCCCCCCCCCCCCOP(=O)(C=C)OCCCCC
InChIInChI=1S/C28H56O6P2/c1-5-9-21-25-31-35(29,7-3)33-27-23-19-17-15-13-11-12-14-16-18-20-24-28-34-36(30,8-4)32-26-22-10-6-2/h7-8H,3-6,9-28H2,1-2H3
InChIKeyRIOGFILSAZELKI-UHFFFAOYSA-N
XLogP10.79
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.70
LogP ≤ 510.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane
CID 156751855
(Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene
CID 10746277
1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane
CID 167328473
1-[methyl(octoxy)phosphoryl]oxyoctane
CID 15779
1-[heptoxy(prop-2-enyl)phosphoryl]oxyheptane
CID 176894700
1-[hexoxy(prop-2-enyl)phosphoryl]oxyhexane
CID 54567675
1-[butoxy(methyl)phosphoryl]oxydecane
CID 89088308
dodecyl dioctyl phosphate
CID 57134013
diheptyl hexyl phosphate
CID 175578950
icosyl bis(tridec-12-enyl) phosphate
CID 156683093
1-[chloro(methyl)phosphoryl]oxyheptane
CID 13173235
potassium tris-decyl phosphate
CID 21118666

Frequently Asked Questions

What is the IUPAC name of 1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane?
The IUPAC name of 1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane (CID 156751885) is 1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane.
What is the SMILES notation for 1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane?
The canonical SMILES for 1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane is C=CP(=O)(OCCCCC)OCCCCCCCCCCCCCCOP(=O)(C=C)OCCCCC.
What is the InChIKey of 1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane?
The InChIKey is RIOGFILSAZELKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56O6P2/c1-5-9-21-25-31-35(29,7-3)33-27-23-19-17-15-13-11-12-14-16-18-20-24-28-34-36(30,8-4)32-26-22-10-6-2/h7-8H,3-6,9-28H2,1-2H3.
What are the key properties of 1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane?
1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane has a molecular weight of 550.70 g/mol, XLogP of 10.79, 29 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane is sourced from PubChem (CID 156751885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).