(2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride

C10H16ClO2P — CID 175546555

IUPAC(2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride
SMILESCC(C)(C)OP.Cl.c1ccc2c(c1)O2
InChIInChI=1S/C6H4O.C4H11OP.ClH/c1-2-4-6-5(3-1)7-6;1-4(2,3)5-6;/h1-4H;6H2,1-3H3;1H
InChIKeyGYHDJTSNLHFEHL-UHFFFAOYSA-N
MW234.66 g/mol
LogP3.81
Rot. Bonds

About (2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride

(2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride (PubChem CID 175546555) has the molecular formula C10H16ClO2P and a molecular weight of 234.66 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride
PubChem CID175546555
Molecular FormulaC10H16ClO2P
Molecular Weight234.66 g/mol
Exact Mass234.06
IUPAC Name(2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride
SMILESCC(C)(C)OP.Cl.c1ccc2c(c1)O2
InChIInChI=1S/C6H4O.C4H11OP.ClH/c1-2-4-6-5(3-1)7-6;1-4(2,3)5-6;/h1-4H;6H2,1-3H3;1H
InChIKeyGYHDJTSNLHFEHL-UHFFFAOYSA-N
XLogP3.81
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.66
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride?
The IUPAC name of (2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride (CID 175546555) is (2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride.
What is the SMILES notation for (2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride?
The canonical SMILES for (2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride is CC(C)(C)OP.Cl.c1ccc2c(c1)O2.
What is the InChIKey of (2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride?
The InChIKey is GYHDJTSNLHFEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4O.C4H11OP.ClH/c1-2-4-6-5(3-1)7-6;1-4(2,3)5-6;/h1-4H;6H2,1-3H3;1H.
What are the key properties of (2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride?
(2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride has a molecular weight of 234.66 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxyphosphane;7-oxabicyclo[4.1.0]hepta-1,3,5-triene;hydrochloride is sourced from PubChem (CID 175546555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).