cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane

C12H24O5P2S2 — CID 87475771

IUPACcyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESOP(=S)(OC1CCCCC1)OP(O)(=S)OC1CCCCC1
InChIInChI=1S/C12H24O5P2S2/c13-18(20,15-11-7-3-1-4-8-11)17-19(14,21)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,13,20)(H,14,21)
InChIKeyOWYBHXIIKFWZIL-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.14
Rot. Bonds6

About cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane

cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 87475771) has the molecular formula C12H24O5P2S2 and a molecular weight of 374.40 g/mol. Its IUPAC name is cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namecyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID87475771
Molecular FormulaC12H24O5P2S2
Molecular Weight374.40 g/mol
Exact Mass374.05
IUPAC Namecyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESOP(=S)(OC1CCCCC1)OP(O)(=S)OC1CCCCC1
InChIInChI=1S/C12H24O5P2S2/c13-18(20,15-11-7-3-1-4-8-11)17-19(14,21)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,13,20)(H,14,21)
InChIKeyOWYBHXIIKFWZIL-UHFFFAOYSA-N
XLogP4.14
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane
CID 1415318
cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane
CID 21217479
dicyclohexyl [cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy-[cyclohexyloxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
CID 175086196
[amino(cyclohexyloxy)phosphoryl] dihydrogen phosphate
CID 91239957
azanide;cyclohexyloxy-[[cyclohexyloxy(hydroxy)phosphoryl]methyl]phosphinic acid;platinum(2+)
CID 58140306
tricyclooctyl phosphate
CID 22995283
cyclohexyloxy(dodecyl)phosphinic acid
CID 174792280
2-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-N-methyl-N-phenylacetamide
CID 21396794
dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane
CID 14249029
[dichloro-[cyclohexyloxy(hydroxy)phosphoryl]methyl]phosphonic acid
CID 54148021
cyclohexyloxy-nonoxy-sulfanyl-sulfanylidene-λ5-phosphane
CID 174457539
cyclopentyloxy(ethenyl)phosphinic acid
CID 118440970

Frequently Asked Questions

What is the IUPAC name of cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane (CID 87475771) is cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane is OP(=S)(OC1CCCCC1)OP(O)(=S)OC1CCCCC1.
What is the InChIKey of cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is OWYBHXIIKFWZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O5P2S2/c13-18(20,15-11-7-3-1-4-8-11)17-19(14,21)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,13,20)(H,14,21).
What are the key properties of cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane?
cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 374.40 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 87475771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).