hydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane

C11H23O3PS — CID 102070240

IUPAChydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane
SMILESCOP(O)(=S)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C11H23O3PS/c1-8(2)10-6-5-9(3)7-11(10)14-15(12,16)13-4/h8-11H,5-7H2,1-4H3,(H,12,16)
InChIKeyYRJZASMVRVKBTR-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.33
Rot. Bonds4

About hydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane

hydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane (PubChem CID 102070240) has the molecular formula C11H23O3PS and a molecular weight of 266.34 g/mol. Its IUPAC name is hydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane
PubChem CID102070240
Molecular FormulaC11H23O3PS
Molecular Weight266.34 g/mol
Exact Mass266.11
IUPAC Namehydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane
SMILESCOP(O)(=S)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C11H23O3PS/c1-8(2)10-6-5-9(3)7-11(10)14-15(12,16)13-4/h8-11H,5-7H2,1-4H3,(H,12,16)
InChIKeyYRJZASMVRVKBTR-UHFFFAOYSA-N
XLogP3.33
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]phosphinothioyldisulfanyl]-bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]-sulfanylidene-λ5-phosphane
CID 11457094
2-[hydroxy-(5-methyl-2-propan-2-ylcyclohexyl)oxyphosphinothioyl]oxy-N,N-dimethylethanamine
CID 57320646
(5-methyl-2-propan-2-ylcyclohexyl) phosphono hydrogen phosphate
CID 54119875
(1S,2R,4R)-4-methyl-2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-1-propan-2-ylcyclohexane
CID 142760387
methyl bis[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]phosphorylmethanedithioate
CID 11190116
(1R)-1-bis[[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy]phosphoryl-2,2-dimethylpropan-1-ol
CID 124721035
(1S,2R,4S)-4-methyl-1-propan-2-yl-2-propan-2-yloxycyclohexane
CID 176736545
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyboronic acid
CID 99738331
(1S,2R,4R)-2-[(E)-1-bromoprop-1-enoxy]-4-methyl-1-propan-2-ylcyclohexane
CID 11380333
(1R,2S,4S)-4-methyl-2-[[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxydisulfanyl]oxy-1-propan-2-ylcyclohexane
CID 70687940
2-(methylamino)ethyl (5-methyl-2-propan-2-ylcyclohexyl) hydrogen phosphate
CID 54281799
ethyl-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxy-phenyl-sulfanylidene-λ5-phosphane
CID 23415856

Frequently Asked Questions

What is the IUPAC name of hydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane (CID 102070240) is hydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane is COP(O)(=S)OC1CC(C)CCC1C(C)C.
What is the InChIKey of hydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane?
The InChIKey is YRJZASMVRVKBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O3PS/c1-8(2)10-6-5-9(3)7-11(10)14-15(12,16)13-4/h8-11H,5-7H2,1-4H3,(H,12,16).
What are the key properties of hydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane?
hydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane has a molecular weight of 266.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methoxy-(5-methyl-2-propan-2-ylcyclohexyl)oxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 102070240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).