dihexoxy-hydroxy-sulfanylidene-λ5-phosphane

C12H27O3PS — CID 3822675

IUPACdihexoxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCCCOP(O)(=S)OCCCCCC
InChIInChI=1S/C12H27O3PS/c1-3-5-7-9-11-14-16(13,17)15-12-10-8-6-4-2/h3-12H2,1-2H3,(H,13,17)
InChIKeyCFOKOPAVNVCODY-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.40
Rot. Bonds12

About dihexoxy-hydroxy-sulfanylidene-λ5-phosphane

dihexoxy-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 3822675) has the molecular formula C12H27O3PS and a molecular weight of 282.39 g/mol. Its IUPAC name is dihexoxy-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedihexoxy-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID3822675
Molecular FormulaC12H27O3PS
Molecular Weight282.39 g/mol
Exact Mass282.14
IUPAC Namedihexoxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCCCOP(O)(=S)OCCCCCC
InChIInChI=1S/C12H27O3PS/c1-3-5-7-9-11-14-16(13,17)15-12-10-8-6-4-2/h3-12H2,1-2H3,(H,13,17)
InChIKeyCFOKOPAVNVCODY-UHFFFAOYSA-N
XLogP4.40
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihexoxy-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of dihexoxy-hydroxy-sulfanylidene-λ5-phosphane (CID 3822675) is dihexoxy-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dihexoxy-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for dihexoxy-hydroxy-sulfanylidene-λ5-phosphane is CCCCCCOP(O)(=S)OCCCCCC.
What is the InChIKey of dihexoxy-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is CFOKOPAVNVCODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27O3PS/c1-3-5-7-9-11-14-16(13,17)15-12-10-8-6-4-2/h3-12H2,1-2H3,(H,13,17).
What are the key properties of dihexoxy-hydroxy-sulfanylidene-λ5-phosphane?
dihexoxy-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 282.39 g/mol, XLogP of 4.40, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihexoxy-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 3822675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).