dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane

C6H15O3PS — CID 10241836

IUPACdihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane
SMILESCC(C)CC(C)OP(O)(O)=S
InChIInChI=1S/C6H15O3PS/c1-5(2)4-6(3)9-10(7,8)11/h5-6H,4H2,1-3H3,(H2,7,8,11)
InChIKeyAUMWJILZVJVIDB-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.65
Rot. Bonds4

About dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane

dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane (PubChem CID 10241836) has the molecular formula C6H15O3PS and a molecular weight of 198.22 g/mol. Its IUPAC name is dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane
PubChem CID10241836
Molecular FormulaC6H15O3PS
Molecular Weight198.22 g/mol
Exact Mass198.05
IUPAC Namedihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane
SMILESCC(C)CC(C)OP(O)(O)=S
InChIInChI=1S/C6H15O3PS/c1-5(2)4-6(3)9-10(7,8)11/h5-6H,4H2,1-3H3,(H2,7,8,11)
InChIKeyAUMWJILZVJVIDB-UHFFFAOYSA-N
XLogP1.65
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

azanium bis(4-methylpentan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane
CID 163360675
butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 22833363
2-[ethyl(fluoro)phosphoryl]oxy-4-methylpentane
CID 574770
2-methyl-4-[methyl-[methyl(4-methylpentan-2-yloxy)phosphoryl]oxyphosphoryl]oxypentane
CID 600299
4-methyl-2-phosphonooxypentanoic acid
CID 123780215
O-(4-methylpentan-2-yl) methanethioate
CID 87569042
potassium;2,6-dimethylheptan-4-yl dihydrogen phosphate;hydride
CID 174996934
2,6-dimethylheptan-4-yl hydrogen phosphate
CID 21117595
bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yl] methyl phosphate
CID 121277546
2-[amino(hydroxy)phosphinothioyl]oxybutane
CID 146586811
methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate
CID 122658890
bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 161282237

Frequently Asked Questions

What is the IUPAC name of dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane?
The IUPAC name of dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane (CID 10241836) is dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane is CC(C)CC(C)OP(O)(O)=S.
What is the InChIKey of dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane?
The InChIKey is AUMWJILZVJVIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O3PS/c1-5(2)4-6(3)9-10(7,8)11/h5-6H,4H2,1-3H3,(H2,7,8,11).
What are the key properties of dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane?
dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane has a molecular weight of 198.22 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 10241836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).