2-di(propan-2-yloxy)phosphorylethylcyclopropane

C11H23O3P — CID 53392104

IUPAC2-di(propan-2-yloxy)phosphorylethylcyclopropane
SMILESCC(C)OP(=O)(CCC1CC1)OC(C)C
InChIInChI=1S/C11H23O3P/c1-9(2)13-15(12,14-10(3)4)8-7-11-5-6-11/h9-11H,5-8H2,1-4H3
InChIKeyBFZCQAXMLAMAGP-UHFFFAOYSA-N
MW234.28 g/mol
LogP3.83
Rot. Bonds7

About 2-di(propan-2-yloxy)phosphorylethylcyclopropane

2-di(propan-2-yloxy)phosphorylethylcyclopropane (PubChem CID 53392104) has the molecular formula C11H23O3P and a molecular weight of 234.28 g/mol. Its IUPAC name is 2-di(propan-2-yloxy)phosphorylethylcyclopropane.

Molecular Properties

Compound Name2-di(propan-2-yloxy)phosphorylethylcyclopropane
PubChem CID53392104
Molecular FormulaC11H23O3P
Molecular Weight234.28 g/mol
Exact Mass234.14
IUPAC Name2-di(propan-2-yloxy)phosphorylethylcyclopropane
SMILESCC(C)OP(=O)(CCC1CC1)OC(C)C
InChIInChI=1S/C11H23O3P/c1-9(2)13-15(12,14-10(3)4)8-7-11-5-6-11/h9-11H,5-8H2,1-4H3
InChIKeyBFZCQAXMLAMAGP-UHFFFAOYSA-N
XLogP3.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-di(propan-2-yloxy)phosphorylethylcyclopropane?
The IUPAC name of 2-di(propan-2-yloxy)phosphorylethylcyclopropane (CID 53392104) is 2-di(propan-2-yloxy)phosphorylethylcyclopropane.
What is the SMILES notation for 2-di(propan-2-yloxy)phosphorylethylcyclopropane?
The canonical SMILES for 2-di(propan-2-yloxy)phosphorylethylcyclopropane is CC(C)OP(=O)(CCC1CC1)OC(C)C.
What is the InChIKey of 2-di(propan-2-yloxy)phosphorylethylcyclopropane?
The InChIKey is BFZCQAXMLAMAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23O3P/c1-9(2)13-15(12,14-10(3)4)8-7-11-5-6-11/h9-11H,5-8H2,1-4H3.
What are the key properties of 2-di(propan-2-yloxy)phosphorylethylcyclopropane?
2-di(propan-2-yloxy)phosphorylethylcyclopropane has a molecular weight of 234.28 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-di(propan-2-yloxy)phosphorylethylcyclopropane is sourced from PubChem (CID 53392104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).