hexa-1,5-dienoxy(phenoxy)phosphane

C12H15O2P — CID 123997864

IUPAChexa-1,5-dienoxy(phenoxy)phosphane
SMILESC=CCCC=COPOc1ccccc1
InChIInChI=1S/C12H15O2P/c1-2-3-4-8-11-13-15-14-12-9-6-5-7-10-12/h2,5-11,15H,1,3-4H2
InChIKeyZJGJAHBOZORDBP-UHFFFAOYSA-N
MW222.22 g/mol
LogP4.07
Rot. Bonds7

About hexa-1,5-dienoxy(phenoxy)phosphane

hexa-1,5-dienoxy(phenoxy)phosphane (PubChem CID 123997864) has the molecular formula C12H15O2P and a molecular weight of 222.22 g/mol. Its IUPAC name is hexa-1,5-dienoxy(phenoxy)phosphane.

Molecular Properties

Compound Namehexa-1,5-dienoxy(phenoxy)phosphane
PubChem CID123997864
Molecular FormulaC12H15O2P
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Namehexa-1,5-dienoxy(phenoxy)phosphane
SMILESC=CCCC=COPOc1ccccc1
InChIInChI=1S/C12H15O2P/c1-2-3-4-8-11-13-15-14-12-9-6-5-7-10-12/h2,5-11,15H,1,3-4H2
InChIKeyZJGJAHBOZORDBP-UHFFFAOYSA-N
XLogP4.07
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

diphenoxyphosphane chloride
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CID 174846151
(2E)-1-phenylhepta-2,6-dien-1-one
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[(2Z)-hepta-2,6-dienyl]-dimethyl-phenylsilane
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(5E)-deca-1,5,9-triene
CID 5362636
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dodeca-1,7,11-trien-3-yl benzoate
CID 154146161
triphenoxy(prop-2-enyl)phosphanium chloride
CID 11417801
[(E)-3-phenoxyprop-2-enyl]benzene
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prop-2-enylbenzene
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Frequently Asked Questions

What is the IUPAC name of hexa-1,5-dienoxy(phenoxy)phosphane?
The IUPAC name of hexa-1,5-dienoxy(phenoxy)phosphane (CID 123997864) is hexa-1,5-dienoxy(phenoxy)phosphane.
What is the SMILES notation for hexa-1,5-dienoxy(phenoxy)phosphane?
The canonical SMILES for hexa-1,5-dienoxy(phenoxy)phosphane is C=CCCC=COPOc1ccccc1.
What is the InChIKey of hexa-1,5-dienoxy(phenoxy)phosphane?
The InChIKey is ZJGJAHBOZORDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O2P/c1-2-3-4-8-11-13-15-14-12-9-6-5-7-10-12/h2,5-11,15H,1,3-4H2.
What are the key properties of hexa-1,5-dienoxy(phenoxy)phosphane?
hexa-1,5-dienoxy(phenoxy)phosphane has a molecular weight of 222.22 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,5-dienoxy(phenoxy)phosphane is sourced from PubChem (CID 123997864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).