octyl(6-prop-2-enoyloxyhexyl)phosphinic acid

C17H33O4P — CID 139843819

IUPACoctyl(6-prop-2-enoyloxyhexyl)phosphinic acid
SMILESC=CC(=O)OCCCCCCP(=O)(O)CCCCCCCC
InChIInChI=1S/C17H33O4P/c1-3-5-6-7-9-12-15-22(19,20)16-13-10-8-11-14-21-17(18)4-2/h4H,2-3,5-16H2,1H3,(H,19,20)
InChIKeyNLJLDHJESONMRO-UHFFFAOYSA-N
MW332.42 g/mol
LogP4.91
Rot. Bonds15

About octyl(6-prop-2-enoyloxyhexyl)phosphinic acid

octyl(6-prop-2-enoyloxyhexyl)phosphinic acid (PubChem CID 139843819) has the molecular formula C17H33O4P and a molecular weight of 332.42 g/mol. Its IUPAC name is octyl(6-prop-2-enoyloxyhexyl)phosphinic acid.

Molecular Properties

Compound Nameoctyl(6-prop-2-enoyloxyhexyl)phosphinic acid
PubChem CID139843819
Molecular FormulaC17H33O4P
Molecular Weight332.42 g/mol
Exact Mass332.21
IUPAC Nameoctyl(6-prop-2-enoyloxyhexyl)phosphinic acid
SMILESC=CC(=O)OCCCCCCP(=O)(O)CCCCCCCC
InChIInChI=1S/C17H33O4P/c1-3-5-6-7-9-12-15-22(19,20)16-13-10-8-11-14-21-17(18)4-2/h4H,2-3,5-16H2,1H3,(H,19,20)
InChIKeyNLJLDHJESONMRO-UHFFFAOYSA-N
XLogP4.91
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

hexadecyl(4-prop-2-enoyloxybutyl)phosphinic acid
CID 139843854
pentatriacontyl prop-2-enoate
CID 141309454
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
hexyl prop-2-enoate
CID 17259
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
decyl prop-2-enoate
CID 162172023
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate;tridecyl prop-2-enoate
CID 159575283
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716
azane;octyl prop-2-enoate
CID 175482602
octyl prop-2-enoate;prop-2-enoic acid
CID 87340168
chloroethene;octyl prop-2-enoate
CID 87386135

Frequently Asked Questions

What is the IUPAC name of octyl(6-prop-2-enoyloxyhexyl)phosphinic acid?
The IUPAC name of octyl(6-prop-2-enoyloxyhexyl)phosphinic acid (CID 139843819) is octyl(6-prop-2-enoyloxyhexyl)phosphinic acid.
What is the SMILES notation for octyl(6-prop-2-enoyloxyhexyl)phosphinic acid?
The canonical SMILES for octyl(6-prop-2-enoyloxyhexyl)phosphinic acid is C=CC(=O)OCCCCCCP(=O)(O)CCCCCCCC.
What is the InChIKey of octyl(6-prop-2-enoyloxyhexyl)phosphinic acid?
The InChIKey is NLJLDHJESONMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33O4P/c1-3-5-6-7-9-12-15-22(19,20)16-13-10-8-11-14-21-17(18)4-2/h4H,2-3,5-16H2,1H3,(H,19,20).
What are the key properties of octyl(6-prop-2-enoyloxyhexyl)phosphinic acid?
octyl(6-prop-2-enoyloxyhexyl)phosphinic acid has a molecular weight of 332.42 g/mol, XLogP of 4.91, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for octyl(6-prop-2-enoyloxyhexyl)phosphinic acid is sourced from PubChem (CID 139843819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).