[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane

C15H29P — CID 124674169

IUPAC[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane
SMILESCC(C)(C)P([C@@H]1C[C@@H]2CC[C@H]1C2)C(C)(C)C
InChIInChI=1S/C15H29P/c1-14(2,3)16(15(4,5)6)13-10-11-7-8-12(13)9-11/h11-13H,7-10H2,1-6H3/t11-,12+,13-/m1/s1
InChIKeyKLQDTSDJWQAGBD-FRRDWIJNSA-N
MW240.37 g/mol
LogP5.25
Rot. Bonds1

About [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane

[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane (PubChem CID 124674169) has the molecular formula C15H29P and a molecular weight of 240.37 g/mol. Its IUPAC name is [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane.

Molecular Properties

Compound Name[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane
PubChem CID124674169
Molecular FormulaC15H29P
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Name[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane
SMILESCC(C)(C)P([C@@H]1C[C@@H]2CC[C@H]1C2)C(C)(C)C
InChIInChI=1S/C15H29P/c1-14(2,3)16(15(4,5)6)13-10-11-7-8-12(13)9-11/h11-13H,7-10H2,1-6H3/t11-,12+,13-/m1/s1
InChIKeyKLQDTSDJWQAGBD-FRRDWIJNSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.37
LogP ≤ 55.25
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,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane?
The IUPAC name of [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane (CID 124674169) is [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane.
What is the SMILES notation for [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane?
The canonical SMILES for [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane is CC(C)(C)P([C@@H]1C[C@@H]2CC[C@H]1C2)C(C)(C)C.
What is the InChIKey of [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane?
The InChIKey is KLQDTSDJWQAGBD-FRRDWIJNSA-N. The full InChI is InChI=1S/C15H29P/c1-14(2,3)16(15(4,5)6)13-10-11-7-8-12(13)9-11/h11-13H,7-10H2,1-6H3/t11-,12+,13-/m1/s1.
What are the key properties of [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane?
[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane has a molecular weight of 240.37 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-ditert-butylphosphane is sourced from PubChem (CID 124674169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).