dichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane

C7H13Cl2O2P — CID 58528140

IUPACdichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane
SMILESCC[C@H]1O[C@@H](C)CC1OP(Cl)Cl
InChIInChI=1S/C7H13Cl2O2P/c1-3-6-7(11-12(8)9)4-5(2)10-6/h5-7H,3-4H2,1-2H3/t5-,6+,7?/m0/s1
InChIKeyDGFXCSWAQYIVRW-GFCOJPQKSA-N
MW231.06 g/mol
LogP3.66
Rot. Bonds3

About dichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane

dichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane (PubChem CID 58528140) has the molecular formula C7H13Cl2O2P and a molecular weight of 231.06 g/mol. Its IUPAC name is dichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane.

Molecular Properties

Compound Namedichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane
PubChem CID58528140
Molecular FormulaC7H13Cl2O2P
Molecular Weight231.06 g/mol
Exact Mass230.00
IUPAC Namedichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane
SMILESCC[C@H]1O[C@@H](C)CC1OP(Cl)Cl
InChIInChI=1S/C7H13Cl2O2P/c1-3-6-7(11-12(8)9)4-5(2)10-6/h5-7H,3-4H2,1-2H3/t5-,6+,7?/m0/s1
InChIKeyDGFXCSWAQYIVRW-GFCOJPQKSA-N
XLogP3.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,5S)-2-ethyl-3-methoxy-5-methyloxolane
CID 163422674
(2-ethyl-5-methyloxolan-3-yl)oxy-hydroxy-methoxy-sulfanylidene-λ5-phosphane
CID 135224246
(3-ethoxy-5-methyloxolan-2-yl)methanol
CID 59687260
(2R,3S)-2-ethyl-5-methyloxolan-3-ol
CID 174181244
(2R,5S)-2-ethyl-5-methyloxolan-3-ol;N-[[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxy-propoxyphosphanyl]-N-propan-2-ylpropan-2-amine
CID 158348067
(2S,5R)-2-ethyl-5-methyloxolan-3-ol;hydrate
CID 91272276
2-[[di(propan-2-yl)amino]-(2-ethyl-5-methyloxolan-3-yl)oxyphosphanyl]oxyethyl N-methylcarbamate
CID 91587230
2-ethyl-3-methoxy-5,6-dimethyloxane
CID 148593418
(2-ethyl-5-methyloxolan-3-yl) [3-[(3-methoxy-5-methyloxolan-2-yl)methoxy-propoxyphosphoryl]oxy-5-methyloxolan-2-yl]methyl propyl phosphate
CID 58831606
(2-ethyl-5-sulfanyloxolan-3-yl) (3-methoxy-5-methyloxolan-2-yl)methyl methyl phosphate
CID 123943498
CID 59804709
CID 59804709
(2R)-5-chloro-2-ethyl-3-methyloxolane
CID 59969008

Frequently Asked Questions

What is the IUPAC name of dichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane?
The IUPAC name of dichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane (CID 58528140) is dichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane.
What is the SMILES notation for dichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane?
The canonical SMILES for dichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane is CC[C@H]1O[C@@H](C)CC1OP(Cl)Cl.
What is the InChIKey of dichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane?
The InChIKey is DGFXCSWAQYIVRW-GFCOJPQKSA-N. The full InChI is InChI=1S/C7H13Cl2O2P/c1-3-6-7(11-12(8)9)4-5(2)10-6/h5-7H,3-4H2,1-2H3/t5-,6+,7?/m0/s1.
What are the key properties of dichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane?
dichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane has a molecular weight of 231.06 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(2R,5S)-2-ethyl-5-methyloxolan-3-yl]oxyphosphane is sourced from PubChem (CID 58528140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).