8-diphenoxyphosphanyloctyl(diphenoxy)phosphane

C32H36O4P2 — CID 139718936

IUPAC8-diphenoxyphosphanyloctyl(diphenoxy)phosphane
SMILESc1ccc(OP(CCCCCCCCP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C32H36O4P2/c1(3-17-27-37(33-29-19-9-5-10-20-29)34-30-21-11-6-12-22-30)2-4-18-28-38(35-31-23-13-7-14-24-31)36-32-25-15-8-16-26-32/h5-16,19-26H,1-4,17-18,27-28H2
InChIKeyMXBGNKZFMNVGMX-UHFFFAOYSA-N
MW546.58 g/mol
LogP10.27
Rot. Bonds17

About 8-diphenoxyphosphanyloctyl(diphenoxy)phosphane

8-diphenoxyphosphanyloctyl(diphenoxy)phosphane (PubChem CID 139718936) has the molecular formula C32H36O4P2 and a molecular weight of 546.58 g/mol. Its IUPAC name is 8-diphenoxyphosphanyloctyl(diphenoxy)phosphane.

Molecular Properties

Compound Name8-diphenoxyphosphanyloctyl(diphenoxy)phosphane
PubChem CID139718936
Molecular FormulaC32H36O4P2
Molecular Weight546.58 g/mol
Exact Mass546.21
IUPAC Name8-diphenoxyphosphanyloctyl(diphenoxy)phosphane
SMILESc1ccc(OP(CCCCCCCCP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1
InChIInChI=1S/C32H36O4P2/c1(3-17-27-37(33-29-19-9-5-10-20-29)34-30-21-11-6-12-22-30)2-4-18-28-38(35-31-23-13-7-14-24-31)36-32-25-15-8-16-26-32/h5-16,19-26H,1-4,17-18,27-28H2
InChIKeyMXBGNKZFMNVGMX-UHFFFAOYSA-N
XLogP10.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.58
LogP ≤ 510.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

4-diphenoxyphosphanylbutyl(diphenoxy)phosphane
CID 139899843
tri(113C)cyclohexatrienyl phosphite
CID 101432390
triphenyl phosphite
CID 7540
bis(phenyl dihydrogen phosphite);sulfane
CID 174625507
dibutyl(phenoxy)phosphane
CID 12525167
butyl-chloro-phenoxyphosphane
CID 88778201
ethane;methyl diphenyl phosphite
CID 161074644
diphenoxyphosphanyloxymethyl diphenyl phosphite
CID 171611986
3-[3-[3-[3-[3-[3-[3-[3-[3-[4-[2-[3-[3-(3-diphenoxyphosphanyloxypropoxy)propoxy]propoxy]ethoxy]butoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl diphenyl phosphite
CID 102006079
butyl-phenoxy-phenylphosphane
CID 90719182
diphenyl 11-undecoxyundecyl phosphite
CID 101311931
diphenyl 13-tridecoxytridecyl phosphite
CID 101311954

Frequently Asked Questions

What is the IUPAC name of 8-diphenoxyphosphanyloctyl(diphenoxy)phosphane?
The IUPAC name of 8-diphenoxyphosphanyloctyl(diphenoxy)phosphane (CID 139718936) is 8-diphenoxyphosphanyloctyl(diphenoxy)phosphane.
What is the SMILES notation for 8-diphenoxyphosphanyloctyl(diphenoxy)phosphane?
The canonical SMILES for 8-diphenoxyphosphanyloctyl(diphenoxy)phosphane is c1ccc(OP(CCCCCCCCP(Oc2ccccc2)Oc2ccccc2)Oc2ccccc2)cc1.
What is the InChIKey of 8-diphenoxyphosphanyloctyl(diphenoxy)phosphane?
The InChIKey is MXBGNKZFMNVGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36O4P2/c1(3-17-27-37(33-29-19-9-5-10-20-29)34-30-21-11-6-12-22-30)2-4-18-28-38(35-31-23-13-7-14-24-31)36-32-25-15-8-16-26-32/h5-16,19-26H,1-4,17-18,27-28H2.
What are the key properties of 8-diphenoxyphosphanyloctyl(diphenoxy)phosphane?
8-diphenoxyphosphanyloctyl(diphenoxy)phosphane has a molecular weight of 546.58 g/mol, XLogP of 10.27, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-diphenoxyphosphanyloctyl(diphenoxy)phosphane is sourced from PubChem (CID 139718936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).