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

C9H18O2PS- — CID 59767688

IUPAC[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxido-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)/p-1/t7-,8-,9+,12?/m0/s1
InChIKeyOPWNONQEJNZMRD-OCVGKHOMSA-M
MW221.28 g/mol
LogP1.57
Rot. Bonds3

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

[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane (PubChem CID 59767688) has the molecular formula C9H18O2PS- and a molecular weight of 221.28 g/mol. Its IUPAC name is [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane
PubChem CID59767688
Molecular FormulaC9H18O2PS-
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC Name[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxido-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)/p-1/t7-,8-,9+,12?/m0/s1
InChIKeyOPWNONQEJNZMRD-OCVGKHOMSA-M
XLogP1.57
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 51.57
H-Bond Donors ≤ 50
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 [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane (CID 59767688) is [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxido-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-methyl-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is OPWNONQEJNZMRD-OCVGKHOMSA-M. 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)/p-1/t7-,8-,9+,12?/m0/s1.
What are the key properties of [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane?
[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 221.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 59767688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).