1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane

C24H48O6P2 — CID 156751855

IUPAC1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane
SMILESC=CP(=O)(OCCCCC)OCCCCCCCCCCOP(=O)(C=C)OCCCCC
InChIInChI=1S/C24H48O6P2/c1-5-9-17-21-27-31(25,7-3)29-23-19-15-13-11-12-14-16-20-24-30-32(26,8-4)28-22-18-10-6-2/h7-8H,3-6,9-24H2,1-2H3
InChIKeySIOVJFWXXKTZDO-UHFFFAOYSA-N
MW494.59 g/mol
LogP9.23
Rot. Bonds25

About 1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane

1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane (PubChem CID 156751855) has the molecular formula C24H48O6P2 and a molecular weight of 494.59 g/mol. Its IUPAC name is 1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane.

Molecular Properties

Compound Name1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane
PubChem CID156751855
Molecular FormulaC24H48O6P2
Molecular Weight494.59 g/mol
Exact Mass494.29
IUPAC Name1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane
SMILESC=CP(=O)(OCCCCC)OCCCCCCCCCCOP(=O)(C=C)OCCCCC
InChIInChI=1S/C24H48O6P2/c1-5-9-17-21-27-31(25,7-3)29-23-19-15-13-11-12-14-16-20-24-30-32(26,8-4)28-22-18-10-6-2/h7-8H,3-6,9-24H2,1-2H3
InChIKeySIOVJFWXXKTZDO-UHFFFAOYSA-N
XLogP9.23
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds25
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.59
LogP ≤ 59.23
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

1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane
CID 156751885
(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 1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane?
The IUPAC name of 1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane (CID 156751855) is 1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane.
What is the SMILES notation for 1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane?
The canonical SMILES for 1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane is C=CP(=O)(OCCCCC)OCCCCCCCCCCOP(=O)(C=C)OCCCCC.
What is the InChIKey of 1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane?
The InChIKey is SIOVJFWXXKTZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O6P2/c1-5-9-17-21-27-31(25,7-3)29-23-19-15-13-11-12-14-16-20-24-30-32(26,8-4)28-22-18-10-6-2/h7-8H,3-6,9-24H2,1-2H3.
What are the key properties of 1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane?
1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane has a molecular weight of 494.59 g/mol, XLogP of 9.23, 25 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane is sourced from PubChem (CID 156751855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).