deuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane

C7H13Cl2O2P — CID 148982723

IUPACdeuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane
SMILES[2H]POC[C@H]1O[C@@H](C)C(Cl)(Cl)[C@@H]1C
InChIInChI=1S/C7H13Cl2O2P/c1-4-6(3-10-12)11-5(2)7(4,8)9/h4-6H,3,12H2,1-2H3/t4-,5+,6-/m1/s1/i12D/t4-,5+,6-,12?
InChIKeyPWBBMQNSHJBIDF-RODJZHJHSA-N
MW232.07 g/mol
LogP2.39
Rot. Bonds3

About deuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane

deuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane (PubChem CID 148982723) has the molecular formula C7H13Cl2O2P and a molecular weight of 232.07 g/mol. Its IUPAC name is deuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane.

Molecular Properties

Compound Namedeuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane
PubChem CID148982723
Molecular FormulaC7H13Cl2O2P
Molecular Weight232.07 g/mol
Exact Mass231.01
IUPAC Namedeuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane
SMILES[2H]POC[C@H]1O[C@@H](C)C(Cl)(Cl)[C@@H]1C
InChIInChI=1S/C7H13Cl2O2P/c1-4-6(3-10-12)11-5(2)7(4,8)9/h4-6H,3,12H2,1-2H3/t4-,5+,6-/m1/s1/i12D/t4-,5+,6-,12?
InChIKeyPWBBMQNSHJBIDF-RODJZHJHSA-N
XLogP2.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane?
The IUPAC name of deuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane (CID 148982723) is deuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane.
What is the SMILES notation for deuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane?
The canonical SMILES for deuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane is [2H]POC[C@H]1O[C@@H](C)C(Cl)(Cl)[C@@H]1C.
What is the InChIKey of deuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane?
The InChIKey is PWBBMQNSHJBIDF-RODJZHJHSA-N. The full InChI is InChI=1S/C7H13Cl2O2P/c1-4-6(3-10-12)11-5(2)7(4,8)9/h4-6H,3,12H2,1-2H3/t4-,5+,6-/m1/s1/i12D/t4-,5+,6-,12?.
What are the key properties of deuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane?
deuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane has a molecular weight of 232.07 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio-[[(2S,3R,5S)-4,4-dichloro-3,5-dimethyloxolan-2-yl]methoxy]phosphane is sourced from PubChem (CID 148982723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).