[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane

C9H19O2PS — CID 59767689

IUPAC[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane
SMILESCC[C@H]1O[C@@H](C)C[C@H]1CP(C)(O)=S
InChIInChI=1S/C9H19O2PS/c1-4-9-8(5-7(2)11-9)6-12(3,10)13/h7-9H,4-6H2,1-3H3,(H,10,13)/t7-,8-,9+,12?/m0/s1
InChIKeyOPWNONQEJNZMRD-OCVGKHOMSA-N
MW222.29 g/mol
LogP2.21
Rot. Bonds3

About [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane

[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane (PubChem CID 59767689) has the molecular formula C9H19O2PS and a molecular weight of 222.29 g/mol. Its IUPAC name is [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane
PubChem CID59767689
Molecular FormulaC9H19O2PS
Molecular Weight222.29 g/mol
Exact Mass222.08
IUPAC Name[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane
SMILESCC[C@H]1O[C@@H](C)C[C@H]1CP(C)(O)=S
InChIInChI=1S/C9H19O2PS/c1-4-9-8(5-7(2)11-9)6-12(3,10)13/h7-9H,4-6H2,1-3H3,(H,10,13)/t7-,8-,9+,12?/m0/s1
InChIKeyOPWNONQEJNZMRD-OCVGKHOMSA-N
XLogP2.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane?
The IUPAC name of [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane (CID 59767689) is [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane is CC[C@H]1O[C@@H](C)C[C@H]1CP(C)(O)=S.
What is the InChIKey of [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane?
The InChIKey is OPWNONQEJNZMRD-OCVGKHOMSA-N. The full InChI is InChI=1S/C9H19O2PS/c1-4-9-8(5-7(2)11-9)6-12(3,10)13/h7-9H,4-6H2,1-3H3,(H,10,13)/t7-,8-,9+,12?/m0/s1.
What are the key properties of [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane?
[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane has a molecular weight of 222.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-hydroxy-methyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 59767689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).