[(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane

C19H40O2P2 — CID 162488538

About [(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane

[(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane (PubChem CID 162488538) has the molecular formula C19H40O2P2 and a molecular weight of 362.48 g/mol. Its IUPAC name is [(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane.

Molecular Properties

• Compound Name: [(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane
• PubChem CID: 162488538
• Molecular Formula: C19H40O2P2
• Molecular Weight: 362.48 g/mol
• Exact Mass: 362.25
• IUPAC Name: [(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane
• SMILES: CC(C)P(C[C@H]1OC(C)(C)O[C@@H]1CP(C(C)C)C(C)C)C(C)C
• InChI: InChI=1S/C19H40O2P2/c1-13(2)22(14(3)4)11-17-18(21-19(9,10)20-17)12-23(15(5)6)16(7)8/h13-18H,11-12H2,1-10H3/t17-,18-/m1/s1
• InChIKey: HGTUNNKPNDCMLC-QZTJIDSGSA-N
• XLogP: 6.10
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	362.48
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane?

The IUPAC name of [(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane (CID 162488538) is [(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane.

What is the SMILES notation for [(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane?

The canonical SMILES for [(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane is CC(C)P(C[C@H]1OC(C)(C)O[C@@H]1CP(C(C)C)C(C)C)C(C)C.

What is the InChIKey of [(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane?

The InChIKey is HGTUNNKPNDCMLC-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H40O2P2/c1-13(2)22(14(3)4)11-17-18(21-19(9,10)20-17)12-23(15(5)6)16(7)8/h13-18H,11-12H2,1-10H3/t17-,18-/m1/s1.

What are the key properties of [(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane?

[(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane has a molecular weight of 362.48 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S,5S)-5-[di(propan-2-yl)phosphanylmethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-di(propan-2-yl)phosphane is sourced from PubChem (CID 162488538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).