hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane

C11H25O2PS2 — CID 174981933

IUPAChydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCSP(O)(=S)OCCC
InChIInChI=1S/C11H25O2PS2/c1-3-5-6-7-8-9-11-16-14(12,15)13-10-4-2/h3-11H2,1-2H3,(H,12,15)
InChIKeyKLTMTFDYARNUFC-UHFFFAOYSA-N
MW284.43 g/mol
LogP4.72
Rot. Bonds11

About hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane

hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane (PubChem CID 174981933) has the molecular formula C11H25O2PS2 and a molecular weight of 284.43 g/mol. Its IUPAC name is hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
PubChem CID174981933
Molecular FormulaC11H25O2PS2
Molecular Weight284.43 g/mol
Exact Mass284.10
IUPAC Namehydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCSP(O)(=S)OCCC
InChIInChI=1S/C11H25O2PS2/c1-3-5-6-7-8-9-11-16-14(12,15)13-10-4-2/h3-11H2,1-2H3,(H,12,15)
InChIKeyKLTMTFDYARNUFC-UHFFFAOYSA-N
XLogP4.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 54.72
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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Related Compounds

hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073233
hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073286
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073414
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;λ2-plumbane
CID 173386502
dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
CID 21217456
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
octoxy-bis(octylsulfanyl)-sulfanylidene-λ5-phosphane
CID 54515285
cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane
CID 21217479
butoxy(octylsulfanyl)phosphinic acid;zinc
CID 175444603
CID 141192629
CID 141192629
decylsulfanylphosphonic acid
CID 21217457

Frequently Asked Questions

What is the IUPAC name of hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane (CID 174981933) is hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane is CCCCCCCCSP(O)(=S)OCCC.
What is the InChIKey of hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane?
The InChIKey is KLTMTFDYARNUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25O2PS2/c1-3-5-6-7-8-9-11-16-14(12,15)13-10-4-2/h3-11H2,1-2H3,(H,12,15).
What are the key properties of hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane?
hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane has a molecular weight of 284.43 g/mol, XLogP of 4.72, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 174981933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).