4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine

C6H11OP — CID 144687794

IUPAC4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine
SMILESCC1=CC(C)OPC1
InChIInChI=1S/C6H11OP/c1-5-3-6(2)7-8-4-5/h3,6,8H,4H2,1-2H3
InChIKeyYFKDVYJEYBCRRD-UHFFFAOYSA-N
MW130.13 g/mol
LogP1.94
Rot. Bonds

About 4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine

4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine (PubChem CID 144687794) has the molecular formula C6H11OP and a molecular weight of 130.13 g/mol. Its IUPAC name is 4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine.

Molecular Properties

Compound Name4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine
PubChem CID144687794
Molecular FormulaC6H11OP
Molecular Weight130.13 g/mol
Exact Mass130.05
IUPAC Name4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine
SMILESCC1=CC(C)OPC1
InChIInChI=1S/C6H11OP/c1-5-3-6(2)7-8-4-5/h3,6,8H,4H2,1-2H3
InChIKeyYFKDVYJEYBCRRD-UHFFFAOYSA-N
XLogP1.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.13
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine?
The IUPAC name of 4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine (CID 144687794) is 4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine.
What is the SMILES notation for 4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine?
The canonical SMILES for 4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine is CC1=CC(C)OPC1.
What is the InChIKey of 4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine?
The InChIKey is YFKDVYJEYBCRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11OP/c1-5-3-6(2)7-8-4-5/h3,6,8H,4H2,1-2H3.
What are the key properties of 4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine?
4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine has a molecular weight of 130.13 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3,6-dihydro-2H-oxaphosphinine is sourced from PubChem (CID 144687794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).