zinc octoxy-dioxido-sulfanylidene-λ5-phosphane

C8H17O3PSZn — CID 157333832

IUPACzinc octoxy-dioxido-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCOP([O-])([O-])=S.[Zn+2]
InChIInChI=1S/C8H19O3PS.Zn/c1-2-3-4-5-6-7-8-11-12(9,10)13;/h2-8H2,1H3,(H2,9,10,13);/q;+2/p-2
InChIKeyBFPGUKYITRBWEY-UHFFFAOYSA-L
MW289.65 g/mol
LogP1.31
Rot. Bonds8

About zinc octoxy-dioxido-sulfanylidene-λ5-phosphane

zinc octoxy-dioxido-sulfanylidene-λ5-phosphane (PubChem CID 157333832) has the molecular formula C8H17O3PSZn and a molecular weight of 289.65 g/mol. Its IUPAC name is zinc octoxy-dioxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namezinc octoxy-dioxido-sulfanylidene-λ5-phosphane
PubChem CID157333832
Molecular FormulaC8H17O3PSZn
Molecular Weight289.65 g/mol
Exact Mass287.99
IUPAC Namezinc octoxy-dioxido-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCOP([O-])([O-])=S.[Zn+2]
InChIInChI=1S/C8H19O3PS.Zn/c1-2-3-4-5-6-7-8-11-12(9,10)13;/h2-8H2,1H3,(H2,9,10,13);/q;+2/p-2
InChIKeyBFPGUKYITRBWEY-UHFFFAOYSA-L
XLogP1.31
TPSA55.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.65
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

disodium;zinc;bis(hexadecyl phosphate)
CID 71736811
zinc bis(dinonyl phosphate)
CID 87237924
potassium dihexoxy-oxido-sulfanylidene-λ5-phosphane
CID 23711665
diicosyl phosphate
CID 21219883
dipotassium;tetradecyl phosphate
CID 11089999
dilithium;tridecyl phosphate
CID 159999815
calcium dotriacontyl phosphate
CID 164901019
chromium(2+);dihexyl phosphate
CID 18626712
dilithium;tetradecyl phosphate
CID 139820221
beryllium bis(dihexadecyl phosphate)
CID 102241208
calcium tetradecyl phosphate
CID 172742428
aluminum nonyl phosphate
CID 19089706

Frequently Asked Questions

What is the IUPAC name of zinc octoxy-dioxido-sulfanylidene-λ5-phosphane?
The IUPAC name of zinc octoxy-dioxido-sulfanylidene-λ5-phosphane (CID 157333832) is zinc octoxy-dioxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for zinc octoxy-dioxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for zinc octoxy-dioxido-sulfanylidene-λ5-phosphane is CCCCCCCCOP([O-])([O-])=S.[Zn+2].
What is the InChIKey of zinc octoxy-dioxido-sulfanylidene-λ5-phosphane?
The InChIKey is BFPGUKYITRBWEY-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H19O3PS.Zn/c1-2-3-4-5-6-7-8-11-12(9,10)13;/h2-8H2,1H3,(H2,9,10,13);/q;+2/p-2.
What are the key properties of zinc octoxy-dioxido-sulfanylidene-λ5-phosphane?
zinc octoxy-dioxido-sulfanylidene-λ5-phosphane has a molecular weight of 289.65 g/mol, XLogP of 1.31, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc octoxy-dioxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 157333832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).