(2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane

C26H44P2 — CID 172570767

IUPAC(2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane
SMILESCC(C)C1CCC(C(C)C)P1c1ccccc1P1[C@@H](C(C)C)CC[C@@H]1C(C)C
InChIInChI=1S/C26H44P2/c1-17(2)21-13-14-22(18(3)4)27(21)25-11-9-10-12-26(25)28-23(19(5)6)15-16-24(28)20(7)8/h9-12,17-24H,13-16H2,1-8H3/t21-,22-,23?,24?,28?/m1/s1
InChIKeyRBVGOQHQBUPSGX-ZTBPFWBPSA-N
MW418.59 g/mol
LogP7.59
Rot. Bonds6

About (2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane

(2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane (PubChem CID 172570767) has the molecular formula C26H44P2 and a molecular weight of 418.59 g/mol. Its IUPAC name is (2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane.

Molecular Properties

Compound Name(2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane
PubChem CID172570767
Molecular FormulaC26H44P2
Molecular Weight418.59 g/mol
Exact Mass418.29
IUPAC Name(2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane
SMILESCC(C)C1CCC(C(C)C)P1c1ccccc1P1[C@@H](C(C)C)CC[C@@H]1C(C)C
InChIInChI=1S/C26H44P2/c1-17(2)21-13-14-22(18(3)4)27(21)25-11-9-10-12-26(25)28-23(19(5)6)15-16-24(28)20(7)8/h9-12,17-24H,13-16H2,1-8H3/t21-,22-,23?,24?,28?/m1/s1
InChIKeyRBVGOQHQBUPSGX-ZTBPFWBPSA-N
XLogP7.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.59
LogP ≤ 57.59
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-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane?
The IUPAC name of (2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane (CID 172570767) is (2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane.
What is the SMILES notation for (2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane?
The canonical SMILES for (2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane is CC(C)C1CCC(C(C)C)P1c1ccccc1P1[C@@H](C(C)C)CC[C@@H]1C(C)C.
What is the InChIKey of (2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane?
The InChIKey is RBVGOQHQBUPSGX-ZTBPFWBPSA-N. The full InChI is InChI=1S/C26H44P2/c1-17(2)21-13-14-22(18(3)4)27(21)25-11-9-10-12-26(25)28-23(19(5)6)15-16-24(28)20(7)8/h9-12,17-24H,13-16H2,1-8H3/t21-,22-,23?,24?,28?/m1/s1.
What are the key properties of (2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane?
(2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane has a molecular weight of 418.59 g/mol, XLogP of 7.59, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-1-[2-[2,5-di(propan-2-yl)phospholan-1-yl]phenyl]-2,5-di(propan-2-yl)phospholane is sourced from PubChem (CID 172570767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).