2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane

C9H17O3P — CID 23270102

IUPAC2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESC=C=CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H17O3P/c1-6-7-13(10,11-8(2)3)12-9(4)5/h7-9H,1H2,2-5H3
InChIKeyNNXXTOGFTHFAIJ-UHFFFAOYSA-N
MW204.21 g/mol
LogP3.33
Rot. Bonds5

About 2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane

2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane (PubChem CID 23270102) has the molecular formula C9H17O3P and a molecular weight of 204.21 g/mol. Its IUPAC name is 2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane.

Molecular Properties

Compound Name2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane
PubChem CID23270102
Molecular FormulaC9H17O3P
Molecular Weight204.21 g/mol
Exact Mass204.09
IUPAC Name2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane
SMILESC=C=CP(=O)(OC(C)C)OC(C)C
InChIInChI=1S/C9H17O3P/c1-6-7-13(10,11-8(2)3)12-9(4)5/h7-9H,1H2,2-5H3
InChIKeyNNXXTOGFTHFAIJ-UHFFFAOYSA-N
XLogP3.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane?
The IUPAC name of 2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane (CID 23270102) is 2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane.
What is the SMILES notation for 2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane?
The canonical SMILES for 2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane is C=C=CP(=O)(OC(C)C)OC(C)C.
What is the InChIKey of 2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane?
The InChIKey is NNXXTOGFTHFAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17O3P/c1-6-7-13(10,11-8(2)3)12-9(4)5/h7-9H,1H2,2-5H3.
What are the key properties of 2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane?
2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane has a molecular weight of 204.21 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propa-1,2-dienyl(propan-2-yloxy)phosphoryl]oxypropane is sourced from PubChem (CID 23270102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).