3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione

C15H22O3P2 — CID 143082940

IUPAC3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione
SMILESC[C@@H]1CCCP1C1=C(P2[C@H](C)CC[C@H]2C)C(=O)OC1=O
InChIInChI=1S/C15H22O3P2/c1-9-5-4-8-19(9)12-13(15(17)18-14(12)16)20-10(2)6-7-11(20)3/h9-11H,4-8H2,1-3H3/t9-,10-,11-,19?/m1/s1
InChIKeyUFZWKNKLMFGTNN-MJVWDSAISA-N
MW312.29 g/mol
LogP4.00
Rot. Bonds2

About 3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione

3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione (PubChem CID 143082940) has the molecular formula C15H22O3P2 and a molecular weight of 312.29 g/mol. Its IUPAC name is 3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione.

Molecular Properties

Compound Name3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione
PubChem CID143082940
Molecular FormulaC15H22O3P2
Molecular Weight312.29 g/mol
Exact Mass312.10
IUPAC Name3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione
SMILESC[C@@H]1CCCP1C1=C(P2[C@H](C)CC[C@H]2C)C(=O)OC1=O
InChIInChI=1S/C15H22O3P2/c1-9-5-4-8-19(9)12-13(15(17)18-14(12)16)20-10(2)6-7-11(20)3/h9-11H,4-8H2,1-3H3/t9-,10-,11-,19?/m1/s1
InChIKeyUFZWKNKLMFGTNN-MJVWDSAISA-N
XLogP4.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione?
The IUPAC name of 3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione (CID 143082940) is 3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione.
What is the SMILES notation for 3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione?
The canonical SMILES for 3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione is C[C@@H]1CCCP1C1=C(P2[C@H](C)CC[C@H]2C)C(=O)OC1=O.
What is the InChIKey of 3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione?
The InChIKey is UFZWKNKLMFGTNN-MJVWDSAISA-N. The full InChI is InChI=1S/C15H22O3P2/c1-9-5-4-8-19(9)12-13(15(17)18-14(12)16)20-10(2)6-7-11(20)3/h9-11H,4-8H2,1-3H3/t9-,10-,11-,19?/m1/s1.
What are the key properties of 3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione?
3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione has a molecular weight of 312.29 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,5R)-2,5-dimethylphospholan-1-yl]-4-[(2R)-2-methylphospholan-1-yl]furan-2,5-dione is sourced from PubChem (CID 143082940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).