1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane

C19H42O4P2 — CID 23081687

IUPAC1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane
SMILESCCCCP(=O)(CCCC)OCC(C)OP(=O)(CCCC)CCCC
InChIInChI=1S/C19H42O4P2/c1-6-10-14-24(20,15-11-7-2)22-18-19(5)23-25(21,16-12-8-3)17-13-9-4/h19H,6-18H2,1-5H3
InChIKeyCDCOWLSUTGPXEY-UHFFFAOYSA-N
MW396.49 g/mol
LogP7.16
Rot. Bonds17

About 1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane

1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane (PubChem CID 23081687) has the molecular formula C19H42O4P2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane.

Molecular Properties

Compound Name1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane
PubChem CID23081687
Molecular FormulaC19H42O4P2
Molecular Weight396.49 g/mol
Exact Mass396.26
IUPAC Name1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane
SMILESCCCCP(=O)(CCCC)OCC(C)OP(=O)(CCCC)CCCC
InChIInChI=1S/C19H42O4P2/c1-6-10-14-24(20,15-11-7-2)22-18-19(5)23-25(21,16-12-8-3)17-13-9-4/h19H,6-18H2,1-5H3
InChIKeyCDCOWLSUTGPXEY-UHFFFAOYSA-N
XLogP7.16
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-dichlorophosphoryloxypropoxy)butane
CID 101148604
1-[3-methylbutyl(propyl)phosphoryl]oxypropan-2-ol
CID 155472796
1-[bis(propan-2-ylperoxy)phosphorylmethyl-propan-2-yloxyphosphoryl]heptadecane
CID 87459637
1-[bis(2-methylpropoxy)phosphoryl]hexadecane
CID 172712783
2-[ethyl(propyl)phosphoryl]oxypropan-1-ol
CID 129142575
1-[butyl(2-methylpropoxy)phosphoryl]oxyoctadecane
CID 91716506
1-[butyl(2-methylpropoxy)phosphoryl]oxydodecane
CID 91716241
1-[butyl-(4-methoxy-2-methylbutoxy)phosphoryl]oxy-4-methoxy-2-methylbutane
CID 91701478
1-[butyl(2-methylpropoxy)phosphoryl]oxypentadecane
CID 91716510
1-[ethyl(2,2,2-trifluoroethoxy)phosphoryl]butane
CID 87128078
1-di(propan-2-yloxy)phosphoryltetracosane
CID 23336035
1-di(butan-2-yl)phosphorylbutane
CID 118032520

Frequently Asked Questions

What is the IUPAC name of 1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane?
The IUPAC name of 1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane (CID 23081687) is 1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane.
What is the SMILES notation for 1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane?
The canonical SMILES for 1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane is CCCCP(=O)(CCCC)OCC(C)OP(=O)(CCCC)CCCC.
What is the InChIKey of 1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane?
The InChIKey is CDCOWLSUTGPXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42O4P2/c1-6-10-14-24(20,15-11-7-2)22-18-19(5)23-25(21,16-12-8-3)17-13-9-4/h19H,6-18H2,1-5H3.
What are the key properties of 1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane?
1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane has a molecular weight of 396.49 g/mol, XLogP of 7.16, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[butyl(2-dibutylphosphoryloxypropoxy)phosphoryl]butane is sourced from PubChem (CID 23081687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).