(1S,2S)-1-cyclohexyl-2-ethenylphosphirane

C10H17P — CID 23414253

IUPAC(1S,2S)-1-cyclohexyl-2-ethenylphosphirane
SMILESC=C[C@H]1C[P@@]1C1CCCCC1
InChIInChI=1S/C10H17P/c1-2-9-8-11(9)10-6-4-3-5-7-10/h2,9-10H,1,3-8H2/t9-,11+/m0/s1
InChIKeySDNHZNBRXDDBBJ-GXSJLCMTSA-N
MW168.22 g/mol
LogP3.37
Rot. Bonds2

About (1S,2S)-1-cyclohexyl-2-ethenylphosphirane

(1S,2S)-1-cyclohexyl-2-ethenylphosphirane (PubChem CID 23414253) has the molecular formula C10H17P and a molecular weight of 168.22 g/mol. Its IUPAC name is (1S,2S)-1-cyclohexyl-2-ethenylphosphirane.

Molecular Properties

Compound Name(1S,2S)-1-cyclohexyl-2-ethenylphosphirane
PubChem CID23414253
Molecular FormulaC10H17P
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name(1S,2S)-1-cyclohexyl-2-ethenylphosphirane
SMILESC=C[C@H]1C[P@@]1C1CCCCC1
InChIInChI=1S/C10H17P/c1-2-9-8-11(9)10-6-4-3-5-7-10/h2,9-10H,1,3-8H2/t9-,11+/m0/s1
InChIKeySDNHZNBRXDDBBJ-GXSJLCMTSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2S)-1-cyclohexyl-2-ethenylphosphirane?
The IUPAC name of (1S,2S)-1-cyclohexyl-2-ethenylphosphirane (CID 23414253) is (1S,2S)-1-cyclohexyl-2-ethenylphosphirane.
What is the SMILES notation for (1S,2S)-1-cyclohexyl-2-ethenylphosphirane?
The canonical SMILES for (1S,2S)-1-cyclohexyl-2-ethenylphosphirane is C=C[C@H]1C[P@@]1C1CCCCC1.
What is the InChIKey of (1S,2S)-1-cyclohexyl-2-ethenylphosphirane?
The InChIKey is SDNHZNBRXDDBBJ-GXSJLCMTSA-N. The full InChI is InChI=1S/C10H17P/c1-2-9-8-11(9)10-6-4-3-5-7-10/h2,9-10H,1,3-8H2/t9-,11+/m0/s1.
What are the key properties of (1S,2S)-1-cyclohexyl-2-ethenylphosphirane?
(1S,2S)-1-cyclohexyl-2-ethenylphosphirane has a molecular weight of 168.22 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S)-1-cyclohexyl-2-ethenylphosphirane is sourced from PubChem (CID 23414253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).