dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane

C12H23OPS — CID 14249029

IUPACdicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane
SMILESOP(=S)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H23OPS/c13-14(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,13,15)
InChIKeyAUOSUXJDDXGLDC-UHFFFAOYSA-N
MW246.36 g/mol
LogP4.04
Rot. Bonds2

About dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane

dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane (PubChem CID 14249029) has the molecular formula C12H23OPS and a molecular weight of 246.36 g/mol. Its IUPAC name is dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane
PubChem CID14249029
Molecular FormulaC12H23OPS
Molecular Weight246.36 g/mol
Exact Mass246.12
IUPAC Namedicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane
SMILESOP(=S)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C12H23OPS/c13-14(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,13,15)
InChIKeyAUOSUXJDDXGLDC-UHFFFAOYSA-N
XLogP4.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

di(cyclooctyl)phosphinic acid
CID 15243623
[cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane
CID 88546870
cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid
CID 87473548
cycloundecane-1,2-diol
CID 67185134
trans-(1S,2S)-cyclooctane-1,2-diol
CID 7273013
dicyclopentylphosphorylcyclohexane
CID 177406372
cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane
CID 87475771
cyclohexyl(phosphonooxy)phosphinic acid;methane
CID 88826552
1-cyclohexylethanethione
CID 13294348
N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine
CID 12584056
dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane
CID 21391614
[cyclohexyl(dihydroxyphosphinothioyl)amino]phosphonic acid
CID 87475526

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane?
The IUPAC name of dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane (CID 14249029) is dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane is OP(=S)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane?
The InChIKey is AUOSUXJDDXGLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23OPS/c13-14(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2,(H,13,15).
What are the key properties of dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane?
dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane has a molecular weight of 246.36 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 14249029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).