(2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane

C24H40P2 — CID 51023774

IUPAC(2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane
SMILESCC(C)[C@H]1C[C@@H](C(C)C)P1c1ccccc1P1[C@H](C(C)C)C[C@H]1C(C)C
InChIInChI=1S/C24H40P2/c1-15(2)21-13-22(16(3)4)25(21)19-11-9-10-12-20(19)26-23(17(5)6)14-24(26)18(7)8/h9-12,15-18,21-24H,13-14H2,1-8H3/t21-,22-,23-,24+,26?/m0/s1
InChIKeyNECNYAMJCGALHP-UOKHFBGGSA-N
MW390.53 g/mol
LogP6.81
Rot. Bonds6

About (2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane

(2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane (PubChem CID 51023774) has the molecular formula C24H40P2 and a molecular weight of 390.53 g/mol. Its IUPAC name is (2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane.

Molecular Properties

Compound Name(2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane
PubChem CID51023774
Molecular FormulaC24H40P2
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name(2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane
SMILESCC(C)[C@H]1C[C@@H](C(C)C)P1c1ccccc1P1[C@H](C(C)C)C[C@H]1C(C)C
InChIInChI=1S/C24H40P2/c1-15(2)21-13-22(16(3)4)25(21)19-11-9-10-12-20(19)26-23(17(5)6)14-24(26)18(7)8/h9-12,15-18,21-24H,13-14H2,1-8H3/t21-,22-,23-,24+,26?/m0/s1
InChIKeyNECNYAMJCGALHP-UOKHFBGGSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane 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 (2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane?
The IUPAC name of (2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane (CID 51023774) is (2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane.
What is the SMILES notation for (2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane?
The canonical SMILES for (2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane is CC(C)[C@H]1C[C@@H](C(C)C)P1c1ccccc1P1[C@H](C(C)C)C[C@H]1C(C)C.
What is the InChIKey of (2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane?
The InChIKey is NECNYAMJCGALHP-UOKHFBGGSA-N. The full InChI is InChI=1S/C24H40P2/c1-15(2)21-13-22(16(3)4)25(21)19-11-9-10-12-20(19)26-23(17(5)6)14-24(26)18(7)8/h9-12,15-18,21-24H,13-14H2,1-8H3/t21-,22-,23-,24+,26?/m0/s1.
What are the key properties of (2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane?
(2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane has a molecular weight of 390.53 g/mol, XLogP of 6.81, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-[2-[(2S,4S)-2,4-di(propan-2-yl)phosphetan-1-yl]phenyl]-2,4-di(propan-2-yl)phosphetane is sourced from PubChem (CID 51023774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).