(2R,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane

C10H21O2P — CID 58771843

IUPAC(2R,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane
SMILESCC[C@H]1O[C@@H](C)CC1CP(C)(C)=O
InChIInChI=1S/C10H21O2P/c1-5-10-9(6-8(2)12-10)7-13(3,4)11/h8-10H,5-7H2,1-4H3/t8-,9?,10+/m0/s1
InChIKeyAGWXXLLRXOZLJJ-DJBFQZMMSA-N
MW204.25 g/mol
LogP2.81
Rot. Bonds3

About (2R,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane

(2R,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane (PubChem CID 58771843) has the molecular formula C10H21O2P and a molecular weight of 204.25 g/mol. Its IUPAC name is (2R,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane.

Molecular Properties

Compound Name(2R,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane
PubChem CID58771843
Molecular FormulaC10H21O2P
Molecular Weight204.25 g/mol
Exact Mass204.13
IUPAC Name(2R,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane
SMILESCC[C@H]1O[C@@H](C)CC1CP(C)(C)=O
InChIInChI=1S/C10H21O2P/c1-5-10-9(6-8(2)12-10)7-13(3,4)11/h8-10H,5-7H2,1-4H3/t8-,9?,10+/m0/s1
InChIKeyAGWXXLLRXOZLJJ-DJBFQZMMSA-N
XLogP2.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
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,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane?
The IUPAC name of (2R,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane (CID 58771843) is (2R,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane.
What is the SMILES notation for (2R,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane?
The canonical SMILES for (2R,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane is CC[C@H]1O[C@@H](C)CC1CP(C)(C)=O.
What is the InChIKey of (2R,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane?
The InChIKey is AGWXXLLRXOZLJJ-DJBFQZMMSA-N. The full InChI is InChI=1S/C10H21O2P/c1-5-10-9(6-8(2)12-10)7-13(3,4)11/h8-10H,5-7H2,1-4H3/t8-,9?,10+/m0/s1.
What are the key properties of (2R,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane?
(2R,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane has a molecular weight of 204.25 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-3-(dimethylphosphorylmethyl)-2-ethyl-5-methyloxolane is sourced from PubChem (CID 58771843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).