1-tert-butyl-2,5-dimethylphospholane

C10H21P — CID 146329805

IUPAC1-tert-butyl-2,5-dimethylphospholane
SMILESCC1CCC(C)P1C(C)(C)C
InChIInChI=1S/C10H21P/c1-8-6-7-9(2)11(8)10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeySLOPRTBFFZMESD-UHFFFAOYSA-N
MW172.25 g/mol
LogP3.84
Rot. Bonds

About 1-tert-butyl-2,5-dimethylphospholane

1-tert-butyl-2,5-dimethylphospholane (PubChem CID 146329805) has the molecular formula C10H21P and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-tert-butyl-2,5-dimethylphospholane.

Molecular Properties

Compound Name1-tert-butyl-2,5-dimethylphospholane
PubChem CID146329805
Molecular FormulaC10H21P
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name1-tert-butyl-2,5-dimethylphospholane
SMILESCC1CCC(C)P1C(C)(C)C
InChIInChI=1S/C10H21P/c1-8-6-7-9(2)11(8)10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeySLOPRTBFFZMESD-UHFFFAOYSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-2,5-dimethylphospholane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,5-dimethylphospholane?
The IUPAC name of 1-tert-butyl-2,5-dimethylphospholane (CID 146329805) is 1-tert-butyl-2,5-dimethylphospholane.
What is the SMILES notation for 1-tert-butyl-2,5-dimethylphospholane?
The canonical SMILES for 1-tert-butyl-2,5-dimethylphospholane is CC1CCC(C)P1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2,5-dimethylphospholane?
The InChIKey is SLOPRTBFFZMESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21P/c1-8-6-7-9(2)11(8)10(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-2,5-dimethylphospholane?
1-tert-butyl-2,5-dimethylphospholane has a molecular weight of 172.25 g/mol, XLogP of 3.84, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,5-dimethylphospholane is sourced from PubChem (CID 146329805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).