hepta-1,6-dien-4-yloxy-oxido-oxophosphanium

C7H11O3P — CID 88596360

IUPAChepta-1,6-dien-4-yloxy-oxido-oxophosphanium
SMILESC=CCC(CC=C)O[P+](=O)[O-]
InChIInChI=1S/C7H11O3P/c1-3-5-7(6-4-2)10-11(8)9/h3-4,7H,1-2,5-6H2
InChIKeyIFEQANLPHFAOEL-UHFFFAOYSA-N
MW174.14 g/mol
LogP1.54
Rot. Bonds6

About hepta-1,6-dien-4-yloxy-oxido-oxophosphanium

hepta-1,6-dien-4-yloxy-oxido-oxophosphanium (PubChem CID 88596360) has the molecular formula C7H11O3P and a molecular weight of 174.14 g/mol. Its IUPAC name is hepta-1,6-dien-4-yloxy-oxido-oxophosphanium.

Molecular Properties

Compound Namehepta-1,6-dien-4-yloxy-oxido-oxophosphanium
PubChem CID88596360
Molecular FormulaC7H11O3P
Molecular Weight174.14 g/mol
Exact Mass174.04
IUPAC Namehepta-1,6-dien-4-yloxy-oxido-oxophosphanium
SMILESC=CCC(CC=C)O[P+](=O)[O-]
InChIInChI=1S/C7H11O3P/c1-3-5-7(6-4-2)10-11(8)9/h3-4,7H,1-2,5-6H2
InChIKeyIFEQANLPHFAOEL-UHFFFAOYSA-N
XLogP1.54
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.14
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze hepta-1,6-dien-4-yloxy-oxido-oxophosphanium with MolForge

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

Launch Full Analysis

Related Compounds

3-Difluorophosphoryloxyhexa-1,5-diene
CID 166519656
4-Difluorophosphoryloxyhepta-1,6-diene
CID 166519674
Hex-5-en-3-yl [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
CID 18458042
Bis(but-3-enoxy)-oxophosphanium
CID 19894487
6-Phosphorosooxyhex-1-ene
CID 20648126
5-Phosphorosooxypent-1-ene
CID 20669668
Pent-4-en-2-yl dihydrogen phosphate
CID 21344880
4-Prop-2-enyl-1,3,2-dioxaphospholan-2-ium 2-oxide
CID 68296729
But-3-enoxy-hydroxy-oxophosphanium
CID 87068325
Hexa-1,5-dien-3-yl dihydrogen phosphate
CID 87318622
Hexa-1,5-dien-3-yl dihydrogen phosphite
CID 87738765
Tris(pent-4-en-2-yl) phosphate
CID 88443757

Frequently Asked Questions

What is the IUPAC name of hepta-1,6-dien-4-yloxy-oxido-oxophosphanium?
The IUPAC name of hepta-1,6-dien-4-yloxy-oxido-oxophosphanium (CID 88596360) is hepta-1,6-dien-4-yloxy-oxido-oxophosphanium.
What is the SMILES notation for hepta-1,6-dien-4-yloxy-oxido-oxophosphanium?
The canonical SMILES for hepta-1,6-dien-4-yloxy-oxido-oxophosphanium is C=CCC(CC=C)O[P+](=O)[O-].
What is the InChIKey of hepta-1,6-dien-4-yloxy-oxido-oxophosphanium?
The InChIKey is IFEQANLPHFAOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O3P/c1-3-5-7(6-4-2)10-11(8)9/h3-4,7H,1-2,5-6H2.
What are the key properties of hepta-1,6-dien-4-yloxy-oxido-oxophosphanium?
hepta-1,6-dien-4-yloxy-oxido-oxophosphanium has a molecular weight of 174.14 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hepta-1,6-dien-4-yloxy-oxido-oxophosphanium is sourced from PubChem (CID 88596360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).