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

C16H32P2 — CID 158209000

IUPAC(1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane
SMILESCC(C)(C)[P@]1CCCC1[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-/m1/s1
InChIKeySJNUZTRUIDRSJK-HOEVYRDGSA-N
MW286.38 g/mol
LogP5.87
Rot. Bonds1

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

(1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane (PubChem CID 158209000) has the molecular formula C16H32P2 and a molecular weight of 286.38 g/mol. Its IUPAC name is (1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane.

Molecular Properties

Compound Name(1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane
PubChem CID158209000
Molecular FormulaC16H32P2
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name(1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane
SMILESCC(C)(C)[P@]1CCCC1[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-/m1/s1
InChIKeySJNUZTRUIDRSJK-HOEVYRDGSA-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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Related Compounds

1-tert-butyl-2-(phospholan-2-yl)phospholane;2-methylpropane
CID 143603204
(4R)-2-[(1S,2R)-1-tert-butylphospholan-2-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 11578864
1-tert-butyl-2-ethylphosphirane
CID 13063134
(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 166567497
(2-cyclohexyl-2-methyl-3-phosphanylpropyl)phosphane
CID 58351246
(2S,5S)-2,5-dimethyl-1-[(1R)-2-[(2S)-2-methylphospholan-1-yl]cyclopentyl]phospholane
CID 171560754
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 23403360
1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one
CID 166007971
1,2-ditert-butyl-2-(phospholan-2-yl)phospholane
CID 91331862
(2R,5R)-1-[2-[(2R,5R)-2,5-dimethylphospholan-1-yl]cyclopentyl]-2,5-dimethylphospholane
CID 139306014
2-chloropropan-2-ylcyclopentane;silane
CID 174574242
(4-cyclohexyl-2,3,3,4-tetramethylpentan-2-yl)cyclohexane
CID 20659537

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane?
The IUPAC name of (1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane (CID 158209000) is (1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane.
What is the SMILES notation for (1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane?
The canonical SMILES for (1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane is CC(C)(C)[P@]1CCCC1[C@H]1CCC[P@@]1C(C)(C)C.
What is the InChIKey of (1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane?
The InChIKey is SJNUZTRUIDRSJK-HOEVYRDGSA-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-/m1/s1.
What are the key properties of (1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane?
(1R,2R)-1-tert-butyl-2-[(1R)-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 (1R,2R)-1-tert-butyl-2-[(1R)-1-tert-butylphospholan-2-yl]phospholane is sourced from PubChem (CID 158209000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).