(1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane

C16H32P2 — CID 134856672

IUPAC(1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane
SMILESCC(C)(C)[P@@]1CCC[C@H]1[C@@H]1CCC[P@]1C(C)(C)C
InChIInChI=1S/C16H32P2/c1-15(2,3)17-11-7-9-13(17)14-10-8-12-18(14)16(4,5)6/h13-14H,7-12H2,1-6H3/t13-,14-,17-,18-/m0/s1
InChIKeySJNUZTRUIDRSJK-USJZOSNVSA-N
MW286.38 g/mol
LogP5.87
Rot. Bonds1

About (1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane

(1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane (PubChem CID 134856672) has the molecular formula C16H32P2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane.

Molecular Properties

Compound Name(1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane
PubChem CID134856672
Molecular FormulaC16H32P2
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name(1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane
SMILESCC(C)(C)[P@@]1CCC[C@H]1[C@@H]1CCC[P@]1C(C)(C)C
InChIInChI=1S/C16H32P2/c1-15(2,3)17-11-7-9-13(17)14-10-8-12-18(14)16(4,5)6/h13-14H,7-12H2,1-6H3/t13-,14-,17-,18-/m0/s1
InChIKeySJNUZTRUIDRSJK-USJZOSNVSA-N
XLogP5.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 55.87
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 (1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane?
The IUPAC name of (1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane (CID 134856672) is (1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane.
What is the SMILES notation for (1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane?
The canonical SMILES for (1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane is CC(C)(C)[P@@]1CCC[C@H]1[C@@H]1CCC[P@]1C(C)(C)C.
What is the InChIKey of (1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane?
The InChIKey is SJNUZTRUIDRSJK-USJZOSNVSA-N. The full InChI is InChI=1S/C16H32P2/c1-15(2,3)17-11-7-9-13(17)14-10-8-12-18(14)16(4,5)6/h13-14H,7-12H2,1-6H3/t13-,14-,17-,18-/m0/s1.
What are the key properties of (1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane?
(1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane has a molecular weight of 286.38 g/mol, XLogP of 5.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-tert-butyl-2-[(1S,2S)-1-tert-butylphospholan-2-yl]phospholane is sourced from PubChem (CID 134856672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).