[(3E)-hexa-3,5-dienoxy]-methylphosphinic acid

C7H13O3P — CID 20726647

IUPAC[(3E)-hexa-3,5-dienoxy]-methylphosphinic acid
SMILESC=C/C=C/CCOP(C)(=O)O
InChIInChI=1S/C7H13O3P/c1-3-4-5-6-7-10-11(2,8)9/h3-5H,1,6-7H2,2H3,(H,8,9)/b5-4+
InChIKeyOLPHWZSKTHCSFO-SNAWJCMRSA-N
MW176.15 g/mol
LogP1.95
Rot. Bonds5

About [(3E)-hexa-3,5-dienoxy]-methylphosphinic acid

[(3E)-hexa-3,5-dienoxy]-methylphosphinic acid (PubChem CID 20726647) has the molecular formula C7H13O3P and a molecular weight of 176.15 g/mol. Its IUPAC name is [(3E)-hexa-3,5-dienoxy]-methylphosphinic acid.

Molecular Properties

Compound Name[(3E)-hexa-3,5-dienoxy]-methylphosphinic acid
PubChem CID20726647
Molecular FormulaC7H13O3P
Molecular Weight176.15 g/mol
Exact Mass176.06
IUPAC Name[(3E)-hexa-3,5-dienoxy]-methylphosphinic acid
SMILESC=C/C=C/CCOP(C)(=O)O
InChIInChI=1S/C7H13O3P/c1-3-4-5-6-7-10-11(2,8)9/h3-5H,1,6-7H2,2H3,(H,8,9)/b5-4+
InChIKeyOLPHWZSKTHCSFO-SNAWJCMRSA-N
XLogP1.95
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl hepta-4,6-dienoate
CID 53405107
[(3E)-hexa-3,5-dienoxy]-tri(propan-2-yl)silane
CID 10531152
(3Z)-hepta-1,3-diene
CID 6427773
(3-amino-3-oxopropoxy)-methylphosphinic acid
CID 71382288
4-chlorobut-3-enyl dihydrogen phosphate
CID 154328180
bis((3E)-octa-1,3-diene);ruthenium
CID 173228817
2-ethylsulfinylethoxy(methyl)phosphinic acid
CID 175986683
2-[hydroxy(methyl)phosphoryl]oxyethylsulfanyl-methylphosphinate
CID 59267129
5-[hydroxy(methyl)phosphoryl]oxypentanoic acid
CID 139636947
methyl(6-sulfanylhexoxy)phosphinic acid
CID 59539997
(3E)-8-methylnona-1,3,7-triene
CID 16752433
pentadecyl(penta-2,4-dienoxy)phosphinic acid
CID 174788644

Frequently Asked Questions

What is the IUPAC name of [(3E)-hexa-3,5-dienoxy]-methylphosphinic acid?
The IUPAC name of [(3E)-hexa-3,5-dienoxy]-methylphosphinic acid (CID 20726647) is [(3E)-hexa-3,5-dienoxy]-methylphosphinic acid.
What is the SMILES notation for [(3E)-hexa-3,5-dienoxy]-methylphosphinic acid?
The canonical SMILES for [(3E)-hexa-3,5-dienoxy]-methylphosphinic acid is C=C/C=C/CCOP(C)(=O)O.
What is the InChIKey of [(3E)-hexa-3,5-dienoxy]-methylphosphinic acid?
The InChIKey is OLPHWZSKTHCSFO-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H13O3P/c1-3-4-5-6-7-10-11(2,8)9/h3-5H,1,6-7H2,2H3,(H,8,9)/b5-4+.
What are the key properties of [(3E)-hexa-3,5-dienoxy]-methylphosphinic acid?
[(3E)-hexa-3,5-dienoxy]-methylphosphinic acid has a molecular weight of 176.15 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-hexa-3,5-dienoxy]-methylphosphinic acid is sourced from PubChem (CID 20726647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).