[hexyl(methoxy)phosphoryl] prop-2-enoate

C10H19O4P — CID 174626356

IUPAC[hexyl(methoxy)phosphoryl] prop-2-enoate
SMILESC=CC(=O)OP(=O)(CCCCCC)OC
InChIInChI=1S/C10H19O4P/c1-4-6-7-8-9-15(12,13-3)14-10(11)5-2/h5H,2,4,6-9H2,1,3H3
InChIKeyMFUZKFALRFYULY-UHFFFAOYSA-N
MW234.23 g/mol
LogP3.14
Rot. Bonds8

About [hexyl(methoxy)phosphoryl] prop-2-enoate

[hexyl(methoxy)phosphoryl] prop-2-enoate (PubChem CID 174626356) has the molecular formula C10H19O4P and a molecular weight of 234.23 g/mol. Its IUPAC name is [hexyl(methoxy)phosphoryl] prop-2-enoate.

Molecular Properties

Compound Name[hexyl(methoxy)phosphoryl] prop-2-enoate
PubChem CID174626356
Molecular FormulaC10H19O4P
Molecular Weight234.23 g/mol
Exact Mass234.10
IUPAC Name[hexyl(methoxy)phosphoryl] prop-2-enoate
SMILESC=CC(=O)OP(=O)(CCCCCC)OC
InChIInChI=1S/C10H19O4P/c1-4-6-7-8-9-15(12,13-3)14-10(11)5-2/h5H,2,4,6-9H2,1,3H3
InChIKeyMFUZKFALRFYULY-UHFFFAOYSA-N
XLogP3.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
octyl(6-prop-2-enoyloxyhexyl)phosphinic acid
CID 139843819
sodium;hydride;[methoxy(pentoxy)phosphoryl] prop-2-enoate
CID 174941326
decyl(methoxy)phosphinic acid
CID 54568982
1-[decyl(methoxy)phosphoryl]oxydecane
CID 174626328
docosyl prop-2-enoate;henicosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 161245650
pentatriacontyl prop-2-enoate
CID 141309454
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;tridecyl prop-2-enoate
CID 159575283
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

Frequently Asked Questions

What is the IUPAC name of [hexyl(methoxy)phosphoryl] prop-2-enoate?
The IUPAC name of [hexyl(methoxy)phosphoryl] prop-2-enoate (CID 174626356) is [hexyl(methoxy)phosphoryl] prop-2-enoate.
What is the SMILES notation for [hexyl(methoxy)phosphoryl] prop-2-enoate?
The canonical SMILES for [hexyl(methoxy)phosphoryl] prop-2-enoate is C=CC(=O)OP(=O)(CCCCCC)OC.
What is the InChIKey of [hexyl(methoxy)phosphoryl] prop-2-enoate?
The InChIKey is MFUZKFALRFYULY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19O4P/c1-4-6-7-8-9-15(12,13-3)14-10(11)5-2/h5H,2,4,6-9H2,1,3H3.
What are the key properties of [hexyl(methoxy)phosphoryl] prop-2-enoate?
[hexyl(methoxy)phosphoryl] prop-2-enoate has a molecular weight of 234.23 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [hexyl(methoxy)phosphoryl] prop-2-enoate is sourced from PubChem (CID 174626356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).