1,3-dimethyl-2,5-dihydrophosphole

C6H11P — CID 567441

IUPAC1,3-dimethyl-2,5-dihydrophosphole
SMILESCC1=CCP(C)C1
InChIInChI=1S/C6H11P/c1-6-3-4-7(2)5-6/h3H,4-5H2,1-2H3
InChIKeyOELPUUMBTBHCJM-UHFFFAOYSA-N
MW114.13 g/mol
LogP2.06
Rot. Bonds

About 1,3-dimethyl-2,5-dihydrophosphole

1,3-dimethyl-2,5-dihydrophosphole (PubChem CID 567441) has the molecular formula C6H11P and a molecular weight of 114.13 g/mol. Its IUPAC name is 1,3-dimethyl-2,5-dihydrophosphole.

Molecular Properties

Compound Name1,3-dimethyl-2,5-dihydrophosphole
PubChem CID567441
Molecular FormulaC6H11P
Molecular Weight114.13 g/mol
Exact Mass114.06
IUPAC Name1,3-dimethyl-2,5-dihydrophosphole
SMILESCC1=CCP(C)C1
InChIInChI=1S/C6H11P/c1-6-3-4-7(2)5-6/h3H,4-5H2,1-2H3
InChIKeyOELPUUMBTBHCJM-UHFFFAOYSA-N
XLogP2.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.13
LogP ≤ 52.06
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 1,3-dimethyl-2,5-dihydrophosphole?
The IUPAC name of 1,3-dimethyl-2,5-dihydrophosphole (CID 567441) is 1,3-dimethyl-2,5-dihydrophosphole.
What is the SMILES notation for 1,3-dimethyl-2,5-dihydrophosphole?
The canonical SMILES for 1,3-dimethyl-2,5-dihydrophosphole is CC1=CCP(C)C1.
What is the InChIKey of 1,3-dimethyl-2,5-dihydrophosphole?
The InChIKey is OELPUUMBTBHCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11P/c1-6-3-4-7(2)5-6/h3H,4-5H2,1-2H3.
What are the key properties of 1,3-dimethyl-2,5-dihydrophosphole?
1,3-dimethyl-2,5-dihydrophosphole has a molecular weight of 114.13 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2,5-dihydrophosphole is sourced from PubChem (CID 567441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).