(dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane

C12H28O4P2S2 — CID 100983351

IUPAC(dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane
SMILESCCCOP(OCCC)SSP(OCCC)OCCC
InChIInChI=1S/C12H28O4P2S2/c1-5-9-13-17(14-10-6-2)19-20-18(15-11-7-3)16-12-8-4/h5-12H2,1-4H3
InChIKeyCABXSBJUAUAVCK-UHFFFAOYSA-N
MW362.43 g/mol
LogP6.53
Rot. Bonds15

About (dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane

(dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane (PubChem CID 100983351) has the molecular formula C12H28O4P2S2 and a molecular weight of 362.43 g/mol. Its IUPAC name is (dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane.

Molecular Properties

Compound Name(dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane
PubChem CID100983351
Molecular FormulaC12H28O4P2S2
Molecular Weight362.43 g/mol
Exact Mass362.09
IUPAC Name(dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane
SMILESCCCOP(OCCC)SSP(OCCC)OCCC
InChIInChI=1S/C12H28O4P2S2/c1-5-9-13-17(14-10-6-2)19-20-18(15-11-7-3)16-12-8-4/h5-12H2,1-4H3
InChIKeyCABXSBJUAUAVCK-UHFFFAOYSA-N
XLogP6.53
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

dichloro(propoxy)phosphane
CID 536189
propoxy(dipropyl)phosphane
CID 584525
tris(dipropyl phosphite);indium(3+)
CID 23460130
chloro-ethyl-propoxyphosphane
CID 134886419
N-[dimethylamino(propoxy)phosphanyl]-N-methylmethanamine
CID 14784831
dibutoxy(butylsulfanyl)phosphane
CID 19799721
butyl(dipropoxy)phosphane
CID 87672656
phosphoric acid;tripropyl phosphite
CID 172682927
diheptoxy(heptylsulfanyl)phosphane
CID 54315331
propyl tetradecyl hydrogen phosphite
CID 121403997
cyclopropyl dipropyl phosphite
CID 141234416
benzene;butyl(dipropoxy)phosphane
CID 158448165

Frequently Asked Questions

What is the IUPAC name of (dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane?
The IUPAC name of (dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane (CID 100983351) is (dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane.
What is the SMILES notation for (dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane?
The canonical SMILES for (dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane is CCCOP(OCCC)SSP(OCCC)OCCC.
What is the InChIKey of (dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane?
The InChIKey is CABXSBJUAUAVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28O4P2S2/c1-5-9-13-17(14-10-6-2)19-20-18(15-11-7-3)16-12-8-4/h5-12H2,1-4H3.
What are the key properties of (dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane?
(dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane has a molecular weight of 362.43 g/mol, XLogP of 6.53, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (dipropoxyphosphanyldisulfanyl)-dipropoxyphosphane is sourced from PubChem (CID 100983351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).