dihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane

C6H13O4PS — CID 166912694

IUPACdihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane
SMILESCC1CCOC1COP(O)(O)=S
InChIInChI=1S/C6H13O4PS/c1-5-2-3-9-6(5)4-10-11(7,8)12/h5-6H,2-4H2,1H3,(H2,7,8,12)
InChIKeyOPVRTPQQHKQBRD-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.64
Rot. Bonds3

About dihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane

dihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane (PubChem CID 166912694) has the molecular formula C6H13O4PS and a molecular weight of 212.21 g/mol. Its IUPAC name is dihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane
PubChem CID166912694
Molecular FormulaC6H13O4PS
Molecular Weight212.21 g/mol
Exact Mass212.03
IUPAC Namedihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane
SMILESCC1CCOC1COP(O)(O)=S
InChIInChI=1S/C6H13O4PS/c1-5-2-3-9-6(5)4-10-11(7,8)12/h5-6H,2-4H2,1H3,(H2,7,8,12)
InChIKeyOPVRTPQQHKQBRD-UHFFFAOYSA-N
XLogP0.64
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane?
The IUPAC name of dihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane (CID 166912694) is dihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane?
The canonical SMILES for dihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane is CC1CCOC1COP(O)(O)=S.
What is the InChIKey of dihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane?
The InChIKey is OPVRTPQQHKQBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O4PS/c1-5-2-3-9-6(5)4-10-11(7,8)12/h5-6H,2-4H2,1H3,(H2,7,8,12).
What are the key properties of dihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane?
dihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane has a molecular weight of 212.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-[(3-methyloxolan-2-yl)methoxy]-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 166912694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).