hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc

C16H35O2PS2Zn — CID 87073233

IUPAChydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
SMILESCCCCCCCCOP(O)(=S)SCCCCCCCC.[Zn]
InChIInChI=1S/C16H35O2PS2.Zn/c1-3-5-7-9-11-13-15-18-19(17,20)21-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,17,20);
InChIKeyXMDFJFAUUYLNDZ-UHFFFAOYSA-N
MW419.95 g/mol
LogP6.67
Rot. Bonds16

About hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc

hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc (PubChem CID 87073233) has the molecular formula C16H35O2PS2Zn and a molecular weight of 419.95 g/mol. Its IUPAC name is hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc.

Molecular Properties

Compound Namehydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
PubChem CID87073233
Molecular FormulaC16H35O2PS2Zn
Molecular Weight419.95 g/mol
Exact Mass418.11
IUPAC Namehydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
SMILESCCCCCCCCOP(O)(=S)SCCCCCCCC.[Zn]
InChIInChI=1S/C16H35O2PS2.Zn/c1-3-5-7-9-11-13-15-18-19(17,20)21-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,17,20);
InChIKeyXMDFJFAUUYLNDZ-UHFFFAOYSA-N
XLogP6.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.95
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073286
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073414
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;λ2-plumbane
CID 173386502
hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
CID 174981933
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285
butoxy(octylsulfanyl)phosphinic acid;zinc
CID 175444603
dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
CID 21217456
CID 141192629
CID 141192629
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
1-[decylsulfanyl(dodecoxy)phosphoryl]oxydodecane
CID 88718866

Frequently Asked Questions

What is the IUPAC name of hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The IUPAC name of hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc (CID 87073233) is hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc.
What is the SMILES notation for hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The canonical SMILES for hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc is CCCCCCCCOP(O)(=S)SCCCCCCCC.[Zn].
What is the InChIKey of hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
The InChIKey is XMDFJFAUUYLNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35O2PS2.Zn/c1-3-5-7-9-11-13-15-18-19(17,20)21-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,17,20);.
What are the key properties of hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc?
hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc has a molecular weight of 419.95 g/mol, XLogP of 6.67, 16 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc is sourced from PubChem (CID 87073233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).