1-cyclohexyl-2,5-dimethylphospholane

C12H23P — CID 71446710

IUPAC1-cyclohexyl-2,5-dimethylphospholane
SMILESCC1CCC(C)P1C1CCCCC1
InChIInChI=1S/C12H23P/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3
InChIKeyMXQXDTPMGUHIDS-UHFFFAOYSA-N
MW198.29 g/mol
LogP4.37
Rot. Bonds1

About 1-cyclohexyl-2,5-dimethylphospholane

1-cyclohexyl-2,5-dimethylphospholane (PubChem CID 71446710) has the molecular formula C12H23P and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-cyclohexyl-2,5-dimethylphospholane.

Molecular Properties

Compound Name1-cyclohexyl-2,5-dimethylphospholane
PubChem CID71446710
Molecular FormulaC12H23P
Molecular Weight198.29 g/mol
Exact Mass198.15
IUPAC Name1-cyclohexyl-2,5-dimethylphospholane
SMILESCC1CCC(C)P1C1CCCCC1
InChIInChI=1S/C12H23P/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3
InChIKeyMXQXDTPMGUHIDS-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 54.37
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 1-cyclohexyl-2,5-dimethylphospholane?
The IUPAC name of 1-cyclohexyl-2,5-dimethylphospholane (CID 71446710) is 1-cyclohexyl-2,5-dimethylphospholane.
What is the SMILES notation for 1-cyclohexyl-2,5-dimethylphospholane?
The canonical SMILES for 1-cyclohexyl-2,5-dimethylphospholane is CC1CCC(C)P1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2,5-dimethylphospholane?
The InChIKey is MXQXDTPMGUHIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23P/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-cyclohexyl-2,5-dimethylphospholane?
1-cyclohexyl-2,5-dimethylphospholane has a molecular weight of 198.29 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,5-dimethylphospholane is sourced from PubChem (CID 71446710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).