2-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane

C9H19O3P — CID 12835486

IUPAC2-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane
SMILESC=C(C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H19O3P/c1-7(2)11-13(10,9(5)6)12-8(3)4/h7-8H,5H2,1-4,6H3
InChIKeyQYZFGVNOFXFCEQ-UHFFFAOYSA-N
MW206.22 g/mol
LogP3.56
Rot. Bonds5

About 2-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane

2-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane (PubChem CID 12835486) has the molecular formula C9H19O3P and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane
PubChem CID12835486
Molecular FormulaC9H19O3P
Molecular Weight206.22 g/mol
Exact Mass206.11
IUPAC Name2-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane
SMILESC=C(C)P(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H19O3P/c1-7(2)11-13(10,9(5)6)12-8(3)4/h7-8H,5H2,1-4,6H3
InChIKeyQYZFGVNOFXFCEQ-UHFFFAOYSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 53.56
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-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane?
The IUPAC name of 2-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane (CID 12835486) is 2-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane.
What is the SMILES notation for 2-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane?
The canonical SMILES for 2-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane is C=C(C)P(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane?
The InChIKey is QYZFGVNOFXFCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O3P/c1-7(2)11-13(10,9(5)6)12-8(3)4/h7-8H,5H2,1-4,6H3.
What are the key properties of 2-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane?
2-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane has a molecular weight of 206.22 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yloxy(prop-1-en-2-yl)phosphoryl]oxypropane is sourced from PubChem (CID 12835486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).