cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane

C11H23O2PS2 — CID 159730060

IUPACcyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane
SMILESCCCCCOP(O)(=S)SC1CCCCC1
InChIInChI=1S/C11H23O2PS2/c1-2-3-7-10-13-14(12,15)16-11-8-5-4-6-9-11/h11H,2-10H2,1H3,(H,12,15)
InChIKeyFINXDOVLEDDAMF-UHFFFAOYSA-N
MW282.41 g/mol
LogP4.48
Rot. Bonds7

About cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane

cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane (PubChem CID 159730060) has the molecular formula C11H23O2PS2 and a molecular weight of 282.41 g/mol. Its IUPAC name is cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namecyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane
PubChem CID159730060
Molecular FormulaC11H23O2PS2
Molecular Weight282.41 g/mol
Exact Mass282.09
IUPAC Namecyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane
SMILESCCCCCOP(O)(=S)SC1CCCCC1
InChIInChI=1S/C11H23O2PS2/c1-2-3-7-10-13-14(12,15)16-11-8-5-4-6-9-11/h11H,2-10H2,1H3,(H,12,15)
InChIKeyFINXDOVLEDDAMF-UHFFFAOYSA-N
XLogP4.48
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 54.48
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-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073414
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;λ2-plumbane
CID 173386502
hydroxy-sulfanylidene-triacontoxy-triacontylsulfanyl-λ5-phosphane
CID 161189025
cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 174457539
hydroxy-octoxy-octylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073233
hydroxy-nonoxy-nonylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073286
cyclohexyl nonyl hydrogen phosphate
CID 163645473
fluoro-hydroxy-sulfanylidene-tridecoxy-λ5-phosphane
CID 87279187
cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane
CID 21217479
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
hydroxy-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
CID 174981933
butylsulfanylcycloheptane
CID 14970942

Frequently Asked Questions

What is the IUPAC name of cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane?
The IUPAC name of cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane (CID 159730060) is cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane is CCCCCOP(O)(=S)SC1CCCCC1.
What is the InChIKey of cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane?
The InChIKey is FINXDOVLEDDAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O2PS2/c1-2-3-7-10-13-14(12,15)16-11-8-5-4-6-9-11/h11H,2-10H2,1H3,(H,12,15).
What are the key properties of cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane?
cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane has a molecular weight of 282.41 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 159730060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).