(4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane

C25H48O2P2 — CID 171050857

IUPAC(4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane
SMILESCC1(C)O[C@@H](CP2C(C)(C)CCCC2(C)C)[C@H](CP2C(C)(C)CCCC2(C)C)O1
InChIInChI=1S/C25H48O2P2/c1-21(2)13-11-14-22(3,4)28(21)17-19-20(27-25(9,10)26-19)18-29-23(5,6)15-12-16-24(29,7)8/h19-20H,11-18H2,1-10H3/t19-,20-/m0/s1
InChIKeyWRSKKLLNUJCFHO-PMACEKPBSA-N
MW442.61 g/mol
LogP7.95
Rot. Bonds4

About (4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane

(4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane (PubChem CID 171050857) has the molecular formula C25H48O2P2 and a molecular weight of 442.61 g/mol. Its IUPAC name is (4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane
PubChem CID171050857
Molecular FormulaC25H48O2P2
Molecular Weight442.61 g/mol
Exact Mass442.31
IUPAC Name(4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane
SMILESCC1(C)O[C@@H](CP2C(C)(C)CCCC2(C)C)[C@H](CP2C(C)(C)CCCC2(C)C)O1
InChIInChI=1S/C25H48O2P2/c1-21(2)13-11-14-22(3,4)28(21)17-19-20(27-25(9,10)26-19)18-29-23(5,6)15-12-16-24(29,7)8/h19-20H,11-18H2,1-10H3/t19-,20-/m0/s1
InChIKeyWRSKKLLNUJCFHO-PMACEKPBSA-N
XLogP7.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane?
The IUPAC name of (4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane (CID 171050857) is (4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane.
What is the SMILES notation for (4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane?
The canonical SMILES for (4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane is CC1(C)O[C@@H](CP2C(C)(C)CCCC2(C)C)[C@H](CP2C(C)(C)CCCC2(C)C)O1.
What is the InChIKey of (4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane?
The InChIKey is WRSKKLLNUJCFHO-PMACEKPBSA-N. The full InChI is InChI=1S/C25H48O2P2/c1-21(2)13-11-14-22(3,4)28(21)17-19-20(27-25(9,10)26-19)18-29-23(5,6)15-12-16-24(29,7)8/h19-20H,11-18H2,1-10H3/t19-,20-/m0/s1.
What are the key properties of (4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane?
(4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane has a molecular weight of 442.61 g/mol, XLogP of 7.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-2,2-dimethyl-4,5-bis[(2,2,6,6-tetramethylphosphinan-1-yl)methyl]-1,3-dioxolane is sourced from PubChem (CID 171050857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).