2-di(propan-2-yloxy)phosphorylethynylcyclopropane

C11H19O3P — CID 135068365

IUPAC2-di(propan-2-yloxy)phosphorylethynylcyclopropane
SMILESCC(C)OP(=O)(C#CC1CC1)OC(C)C
InChIInChI=1S/C11H19O3P/c1-9(2)13-15(12,14-10(3)4)8-7-11-5-6-11/h9-11H,5-6H2,1-4H3
InChIKeySCCUXPACLRGKEN-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.40
Rot. Bonds4

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

2-di(propan-2-yloxy)phosphorylethynylcyclopropane (PubChem CID 135068365) has the molecular formula C11H19O3P and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-di(propan-2-yloxy)phosphorylethynylcyclopropane.

Molecular Properties

Compound Name2-di(propan-2-yloxy)phosphorylethynylcyclopropane
PubChem CID135068365
Molecular FormulaC11H19O3P
Molecular Weight230.24 g/mol
Exact Mass230.11
IUPAC Name2-di(propan-2-yloxy)phosphorylethynylcyclopropane
SMILESCC(C)OP(=O)(C#CC1CC1)OC(C)C
InChIInChI=1S/C11H19O3P/c1-9(2)13-15(12,14-10(3)4)8-7-11-5-6-11/h9-11H,5-6H2,1-4H3
InChIKeySCCUXPACLRGKEN-UHFFFAOYSA-N
XLogP3.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-di(propan-2-yloxy)phosphorylethynylcyclopropane?
The IUPAC name of 2-di(propan-2-yloxy)phosphorylethynylcyclopropane (CID 135068365) is 2-di(propan-2-yloxy)phosphorylethynylcyclopropane.
What is the SMILES notation for 2-di(propan-2-yloxy)phosphorylethynylcyclopropane?
The canonical SMILES for 2-di(propan-2-yloxy)phosphorylethynylcyclopropane is CC(C)OP(=O)(C#CC1CC1)OC(C)C.
What is the InChIKey of 2-di(propan-2-yloxy)phosphorylethynylcyclopropane?
The InChIKey is SCCUXPACLRGKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19O3P/c1-9(2)13-15(12,14-10(3)4)8-7-11-5-6-11/h9-11H,5-6H2,1-4H3.
What are the key properties of 2-di(propan-2-yloxy)phosphorylethynylcyclopropane?
2-di(propan-2-yloxy)phosphorylethynylcyclopropane has a molecular weight of 230.24 g/mol, XLogP of 3.40, 4 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)phosphorylethynylcyclopropane is sourced from PubChem (CID 135068365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).