1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane

C24H48O6P2 — CID 167328473

IUPAC1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane
SMILESC=CP(=O)(OCCCCC)OCCCCCCCC(CC)OP(=O)(C=C)OCCCCC
InChIInChI=1S/C24H48O6P2/c1-6-11-17-21-27-31(25,9-4)28-23-19-15-13-14-16-20-24(8-3)30-32(26,10-5)29-22-18-12-7-2/h9-10,24H,4-8,11-23H2,1-3H3
InChIKeyZIQDWTIGAXBQLX-UHFFFAOYSA-N
MW494.59 g/mol
LogP9.23
Rot. Bonds24

About 1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane

1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane (PubChem CID 167328473) has the molecular formula C24H48O6P2 and a molecular weight of 494.59 g/mol. Its IUPAC name is 1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane.

Molecular Properties

Compound Name1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane
PubChem CID167328473
Molecular FormulaC24H48O6P2
Molecular Weight494.59 g/mol
Exact Mass494.29
IUPAC Name1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane
SMILESC=CP(=O)(OCCCCC)OCCCCCCCC(CC)OP(=O)(C=C)OCCCCC
InChIInChI=1S/C24H48O6P2/c1-6-11-17-21-27-31(25,9-4)28-23-19-15-13-14-16-20-24(8-3)30-32(26,10-5)29-22-18-12-7-2/h9-10,24H,4-8,11-23H2,1-3H3
InChIKeyZIQDWTIGAXBQLX-UHFFFAOYSA-N
XLogP9.23
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds24
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
1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane
CID 156751855
(Z)-1-[ethenyl-[(Z)-octadec-9-enoxy]phosphoryl]oxyoctadec-9-ene
CID 10746277
trioctan-3-yl phosphate
CID 22497520
3-[methoxy(methyl)phosphoryl]oxyoctane
CID 170850834
didecan-3-yl hydrogen phosphate
CID 22497654
icosyl nonadecan-10-yl hydrogen phosphate
CID 54370595
disodium;octan-3-yl phosphate
CID 87948378
copper;octan-3-yl dihydrogen phosphate
CID 174493101
nonan-5-yl octadecyl hydrogen phosphate
CID 89345208
tridecan-3-yl 2-(trimethylazaniumyl)ethyl phosphate
CID 46191184
[ethoxy(octan-3-yloxy)phosphoryl] prop-2-eneperoxoate
CID 175468613

Frequently Asked Questions

What is the IUPAC name of 1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane?
The IUPAC name of 1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane (CID 167328473) is 1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane.
What is the SMILES notation for 1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane?
The canonical SMILES for 1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane is C=CP(=O)(OCCCCC)OCCCCCCCC(CC)OP(=O)(C=C)OCCCCC.
What is the InChIKey of 1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane?
The InChIKey is ZIQDWTIGAXBQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O6P2/c1-6-11-17-21-27-31(25,9-4)28-23-19-15-13-14-16-20-24(8-3)30-32(26,10-5)29-22-18-12-7-2/h9-10,24H,4-8,11-23H2,1-3H3.
What are the key properties of 1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane?
1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane has a molecular weight of 494.59 g/mol, XLogP of 9.23, 24 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane is sourced from PubChem (CID 167328473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).