potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane

C12H26KO3PS — CID 23711665

IUPACpotassium dihexoxy-oxido-sulfanylidene-λ5-phosphane
SMILESCCCCCCOP([O-])(=S)OCCCCCC.[K+]
InChIInChI=1S/C12H27O3PS.K/c1-3-5-7-9-11-14-16(13,17)15-12-10-8-6-4-2;/h3-12H2,1-2H3,(H,13,17);/q;+1/p-1
InChIKeyZCCMXOHZKYLQET-UHFFFAOYSA-M
MW320.48 g/mol
LogP0.77
Rot. Bonds12

About potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane

potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane (PubChem CID 23711665) has the molecular formula C12H26KO3PS and a molecular weight of 320.48 g/mol. Its IUPAC name is potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namepotassium dihexoxy-oxido-sulfanylidene-λ5-phosphane
PubChem CID23711665
Molecular FormulaC12H26KO3PS
Molecular Weight320.48 g/mol
Exact Mass320.10
IUPAC Namepotassium dihexoxy-oxido-sulfanylidene-λ5-phosphane
SMILESCCCCCCOP([O-])(=S)OCCCCCC.[K+]
InChIInChI=1S/C12H27O3PS.K/c1-3-5-7-9-11-14-16(13,17)15-12-10-8-6-4-2;/h3-12H2,1-2H3,(H,13,17);/q;+1/p-1
InChIKeyZCCMXOHZKYLQET-UHFFFAOYSA-M
XLogP0.77
TPSA41.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 50.77
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

bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
CID 88816119
2-[hexadecoxy(oxido)phosphinothioyl]oxyethyl-trimethylazanium;methane
CID 160707293
zinc octoxy-dioxido-sulfanylidene-λ5-phosphane
CID 157333832
dipotassium;octadecyl phosphate
CID 20511704
potassium dihexoxy-sulfanylidene-sulfido-lambda5-phosphane
CID 18679
dipotassium;octyl phosphate
CID 29394
butoxy-methoxy-oxido-sulfanylidene-λ5-phosphane
CID 154398199
dipotassium;tetradecyl phosphate
CID 11089999
potassium dodecyl octyl phosphate
CID 175269895
zinc bis(octoxy-oxido-propylsulfanyl-sulfanylidene-λ5-phosphane)
CID 162084405
di(nonoxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 3816158
octadecoxy-bis(sulfanyl)-sulfanylidene-λ5-phosphane
CID 21217594

Frequently Asked Questions

What is the IUPAC name of potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane (CID 23711665) is potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane is CCCCCCOP([O-])(=S)OCCCCCC.[K+].
What is the InChIKey of potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is ZCCMXOHZKYLQET-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H27O3PS.K/c1-3-5-7-9-11-14-16(13,17)15-12-10-8-6-4-2;/h3-12H2,1-2H3,(H,13,17);/q;+1/p-1.
What are the key properties of potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane?
potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 320.48 g/mol, XLogP of 0.77, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23711665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).