dibutoxyphosphorylmethyl prop-2-enoate

C12H23O5P — CID 151016280

IUPACdibutoxyphosphorylmethyl prop-2-enoate
SMILESC=CC(=O)OCP(=O)(OCCCC)OCCCC
InChIInChI=1S/C12H23O5P/c1-4-7-9-16-18(14,17-10-8-5-2)11-15-12(13)6-3/h6H,3-5,7-11H2,1-2H3
InChIKeyLXDKCMURZIAOLP-UHFFFAOYSA-N
MW278.28 g/mol
LogP3.50
Rot. Bonds11

About dibutoxyphosphorylmethyl prop-2-enoate

dibutoxyphosphorylmethyl prop-2-enoate (PubChem CID 151016280) has the molecular formula C12H23O5P and a molecular weight of 278.28 g/mol. Its IUPAC name is dibutoxyphosphorylmethyl prop-2-enoate.

Molecular Properties

Compound Namedibutoxyphosphorylmethyl prop-2-enoate
PubChem CID151016280
Molecular FormulaC12H23O5P
Molecular Weight278.28 g/mol
Exact Mass278.13
IUPAC Namedibutoxyphosphorylmethyl prop-2-enoate
SMILESC=CC(=O)OCP(=O)(OCCCC)OCCCC
InChIInChI=1S/C12H23O5P/c1-4-7-9-16-18(14,17-10-8-5-2)11-15-12(13)6-3/h6H,3-5,7-11H2,1-2H3
InChIKeyLXDKCMURZIAOLP-UHFFFAOYSA-N
XLogP3.50
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

butyl prop-2-enoate;bis(ethyl prop-2-enoate)
CID 174617066
acetic acid;butyl prop-2-enoate;prop-2-enoic acid
CID 159700661
butan-2-one;butyl prop-2-enoate
CID 88737685
heptadecyl prop-2-enoate;hexadecyl prop-2-enoate;octadecyl prop-2-enoate;pentadecyl prop-2-enoate;tetradecyl prop-2-enoate
CID 159699669
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
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
dibutyl hydrogen phosphate;2-isocyanatoethyl prop-2-enoate
CID 174752395
bis(amino prop-2-enoate);hexyl dihydrogen phosphate
CID 172853475

Frequently Asked Questions

What is the IUPAC name of dibutoxyphosphorylmethyl prop-2-enoate?
The IUPAC name of dibutoxyphosphorylmethyl prop-2-enoate (CID 151016280) is dibutoxyphosphorylmethyl prop-2-enoate.
What is the SMILES notation for dibutoxyphosphorylmethyl prop-2-enoate?
The canonical SMILES for dibutoxyphosphorylmethyl prop-2-enoate is C=CC(=O)OCP(=O)(OCCCC)OCCCC.
What is the InChIKey of dibutoxyphosphorylmethyl prop-2-enoate?
The InChIKey is LXDKCMURZIAOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O5P/c1-4-7-9-16-18(14,17-10-8-5-2)11-15-12(13)6-3/h6H,3-5,7-11H2,1-2H3.
What are the key properties of dibutoxyphosphorylmethyl prop-2-enoate?
dibutoxyphosphorylmethyl prop-2-enoate has a molecular weight of 278.28 g/mol, XLogP of 3.50, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxyphosphorylmethyl prop-2-enoate is sourced from PubChem (CID 151016280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).