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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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).