(2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane

C21H42P2 — CID 162785631

IUPAC(2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane
SMILESCC[C@@H]1CC[C@@H](CC)P1C(CC(C)C)P1[C@H](CC)CC[C@H]1CC
InChIInChI=1S/C21H42P2/c1-7-17-11-12-18(8-2)22(17)21(15-16(5)6)23-19(9-3)13-14-20(23)10-4/h16-21H,7-15H2,1-6H3/t17-,18-,19-,20-/m1/s1
InChIKeyKWSFIRRBNVIBSZ-UAFMIMERSA-N
MW356.51 g/mol
LogP8.02
Rot. Bonds8

About (2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane

(2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane (PubChem CID 162785631) has the molecular formula C21H42P2 and a molecular weight of 356.51 g/mol. Its IUPAC name is (2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane.

Molecular Properties

Compound Name(2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane
PubChem CID162785631
Molecular FormulaC21H42P2
Molecular Weight356.51 g/mol
Exact Mass356.28
IUPAC Name(2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane
SMILESCC[C@@H]1CC[C@@H](CC)P1C(CC(C)C)P1[C@H](CC)CC[C@H]1CC
InChIInChI=1S/C21H42P2/c1-7-17-11-12-18(8-2)22(17)21(15-16(5)6)23-19(9-3)13-14-20(23)10-4/h16-21H,7-15H2,1-6H3/t17-,18-,19-,20-/m1/s1
InChIKeyKWSFIRRBNVIBSZ-UAFMIMERSA-N
XLogP8.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane?
The IUPAC name of (2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane (CID 162785631) is (2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane.
What is the SMILES notation for (2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane?
The canonical SMILES for (2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane is CC[C@@H]1CC[C@@H](CC)P1C(CC(C)C)P1[C@H](CC)CC[C@H]1CC.
What is the InChIKey of (2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane?
The InChIKey is KWSFIRRBNVIBSZ-UAFMIMERSA-N. The full InChI is InChI=1S/C21H42P2/c1-7-17-11-12-18(8-2)22(17)21(15-16(5)6)23-19(9-3)13-14-20(23)10-4/h16-21H,7-15H2,1-6H3/t17-,18-,19-,20-/m1/s1.
What are the key properties of (2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane?
(2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane has a molecular weight of 356.51 g/mol, XLogP of 8.02, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-[1-[(2R,5R)-2,5-diethylphospholan-1-yl]-3-methylbutyl]-2,5-diethylphospholane is sourced from PubChem (CID 162785631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).