[(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane

C9H13OP — CID 59054907

IUPAC[(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane
SMILESC#C[C@]12CC1C[C@H](OP)C2C
InChIInChI=1S/C9H13OP/c1-3-9-5-7(9)4-8(10-11)6(9)2/h1,6-8H,4-5,11H2,2H3/t6?,7?,8-,9+/m0/s1
InChIKeyJSNJXFVCNMEISG-ABIFROTESA-N
MW168.18 g/mol
LogP1.84
Rot. Bonds1

About [(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane

[(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane (PubChem CID 59054907) has the molecular formula C9H13OP and a molecular weight of 168.18 g/mol. Its IUPAC name is [(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane.

Molecular Properties

Compound Name[(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane
PubChem CID59054907
Molecular FormulaC9H13OP
Molecular Weight168.18 g/mol
Exact Mass168.07
IUPAC Name[(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane
SMILESC#C[C@]12CC1C[C@H](OP)C2C
InChIInChI=1S/C9H13OP/c1-3-9-5-7(9)4-8(10-11)6(9)2/h1,6-8H,4-5,11H2,2H3/t6?,7?,8-,9+/m0/s1
InChIKeyJSNJXFVCNMEISG-ABIFROTESA-N
XLogP1.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane?
The IUPAC name of [(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane (CID 59054907) is [(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane.
What is the SMILES notation for [(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane?
The canonical SMILES for [(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane is C#C[C@]12CC1C[C@H](OP)C2C.
What is the InChIKey of [(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane?
The InChIKey is JSNJXFVCNMEISG-ABIFROTESA-N. The full InChI is InChI=1S/C9H13OP/c1-3-9-5-7(9)4-8(10-11)6(9)2/h1,6-8H,4-5,11H2,2H3/t6?,7?,8-,9+/m0/s1.
What are the key properties of [(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane?
[(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane has a molecular weight of 168.18 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-1-ethynyl-2-methyl-3-bicyclo[3.1.0]hexanyl]oxyphosphane is sourced from PubChem (CID 59054907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).