hydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane

C8H17O2PS — CID 167523806

IUPAChydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane
SMILESCC1CCC(OP(C)(O)=S)CC1
InChIInChI=1S/C8H17O2PS/c1-7-3-5-8(6-4-7)10-11(2,9)12/h7-8H,3-6H2,1-2H3,(H,9,12)
InChIKeyJMPZPQFAKPXPTF-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.51
Rot. Bonds2

About hydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane

hydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane (PubChem CID 167523806) has the molecular formula C8H17O2PS and a molecular weight of 208.26 g/mol. Its IUPAC name is hydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane
PubChem CID167523806
Molecular FormulaC8H17O2PS
Molecular Weight208.26 g/mol
Exact Mass208.07
IUPAC Namehydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane
SMILESCC1CCC(OP(C)(O)=S)CC1
InChIInChI=1S/C8H17O2PS/c1-7-3-5-8(6-4-7)10-11(2,9)12/h7-8H,3-6H2,1-2H3,(H,9,12)
InChIKeyJMPZPQFAKPXPTF-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

O-(4-methylcyclohexyl)hydroxylamine
CID 22057712
1,4-dimethylcyclohexane;methanol
CID 70358527
(4-fluorocyclohexyl)oxy-methylphosphinic acid
CID 175013206
bis(1,4-dimethylcyclohexane);methane
CID 161326462
1-(difluoromethoxy)-4-methylcyclohexane;ethene
CID 158991402
cyclohexyloxy-[cyclohexyloxy(hydroxy)phosphinothioyl]oxy-hydroxy-sulfanylidene-λ5-phosphane
CID 87475771
3-(4-methylcyclohexyl)oxycyclobutan-1-ol
CID 66368537
(4-methylcyclohexyl) carbamate
CID 22083226
hydroxy-[hydroxy(methyl)phosphinothioyl]oxy-methyl-sulfanylidene-λ5-phosphane
CID 87476531
hydroxy-[hydroxy(methyl)phosphinothioyl]peroxy-methyl-sulfanylidene-λ5-phosphane
CID 87476601
ethane;1-ethoxy-4-methylcyclohexane
CID 145107105
(4-methylcyclohexyl) 4-(cyclohexanecarbonyloxy)cyclohexane-1-carboxylate
CID 58650724

Frequently Asked Questions

What is the IUPAC name of hydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane (CID 167523806) is hydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane is CC1CCC(OP(C)(O)=S)CC1.
What is the InChIKey of hydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane?
The InChIKey is JMPZPQFAKPXPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O2PS/c1-7-3-5-8(6-4-7)10-11(2,9)12/h7-8H,3-6H2,1-2H3,(H,9,12).
What are the key properties of hydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane?
hydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane has a molecular weight of 208.26 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methyl-(4-methylcyclohexyl)oxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 167523806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).