cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane

C16H33O2PS2 — CID 21217479

IUPACcyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCSP(O)(=S)OC1CCCCC1
InChIInChI=1S/C16H33O2PS2/c1-2-3-4-5-6-7-8-12-15-21-19(17,20)18-16-13-10-9-11-14-16/h16H,2-15H2,1H3,(H,17,20)
InChIKeySCQYUJPVFVSBGQ-UHFFFAOYSA-N
MW352.55 g/mol
LogP6.43
Rot. Bonds12

About cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane

cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 21217479) has the molecular formula C16H33O2PS2 and a molecular weight of 352.55 g/mol. Its IUPAC name is cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namecyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID21217479
Molecular FormulaC16H33O2PS2
Molecular Weight352.55 g/mol
Exact Mass352.17
IUPAC Namecyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCCCCCCCCCSP(O)(=S)OC1CCCCC1
InChIInChI=1S/C16H33O2PS2/c1-2-3-4-5-6-7-8-12-15-21-19(17,20)18-16-13-10-9-11-14-16/h16H,2-15H2,1H3,(H,17,20)
InChIKeySCQYUJPVFVSBGQ-UHFFFAOYSA-N
XLogP6.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.55
LogP ≤ 56.43
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-octylsulfanyl-propoxy-sulfanylidene-λ5-phosphane
CID 174981933
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
dihydroxy-sulfanylidene-tetradecylsulfanyl-λ5-phosphane
CID 21217456
cyclohexyloxy(dodecyl)phosphinic acid
CID 174792280
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;zinc
CID 87073414
hydroxy-pentoxy-pentylsulfanyl-sulfanylidene-λ5-phosphane;λ2-plumbane
CID 173386502
cyclohexylsulfanyl-hydroxy-pentoxy-sulfanylidene-λ5-phosphane
CID 159730060
cyclohexyl nonyl hydrogen phosphate
CID 163645473
cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane
CID 87475771

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane (CID 21217479) is cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane is CCCCCCCCCCSP(O)(=S)OC1CCCCC1.
What is the InChIKey of cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is SCQYUJPVFVSBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33O2PS2/c1-2-3-4-5-6-7-8-12-15-21-19(17,20)18-16-13-10-9-11-14-16/h16H,2-15H2,1H3,(H,17,20).
What are the key properties of cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane?
cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 352.55 g/mol, XLogP of 6.43, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 21217479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).