[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium

C9H18O2P+ — CID 58311480

IUPAC[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium
SMILESCC[C@H]1O[C@@H](C)C[C@H]1C[P+](C)=O
InChIInChI=1S/C9H18O2P/c1-4-9-8(6-12(3)10)5-7(2)11-9/h7-9H,4-6H2,1-3H3/q+1/t7-,8-,9+/m0/s1
InChIKeyRPMRSVRYFVCTAS-XHNCKOQMSA-N
MW189.21 g/mol
LogP2.65
Rot. Bonds3

About [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium

[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium (PubChem CID 58311480) has the molecular formula C9H18O2P+ and a molecular weight of 189.21 g/mol. Its IUPAC name is [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium.

Molecular Properties

Compound Name[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium
PubChem CID58311480
Molecular FormulaC9H18O2P+
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium
SMILESCC[C@H]1O[C@@H](C)C[C@H]1C[P+](C)=O
InChIInChI=1S/C9H18O2P/c1-4-9-8(6-12(3)10)5-7(2)11-9/h7-9H,4-6H2,1-3H3/q+1/t7-,8-,9+/m0/s1
InChIKeyRPMRSVRYFVCTAS-XHNCKOQMSA-N
XLogP2.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium?
The IUPAC name of [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium (CID 58311480) is [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium.
What is the SMILES notation for [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium?
The canonical SMILES for [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium is CC[C@H]1O[C@@H](C)C[C@H]1C[P+](C)=O.
What is the InChIKey of [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium?
The InChIKey is RPMRSVRYFVCTAS-XHNCKOQMSA-N. The full InChI is InChI=1S/C9H18O2P/c1-4-9-8(6-12(3)10)5-7(2)11-9/h7-9H,4-6H2,1-3H3/q+1/t7-,8-,9+/m0/s1.
What are the key properties of [(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium?
[(2R,3R,5S)-2-ethyl-5-methyloxolan-3-yl]methyl-methyl-oxophosphanium has a molecular weight of 189.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 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-methyl-oxophosphanium is sourced from PubChem (CID 58311480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).