3-phosphanylpropyl prop-2-enoate

C6H11O2P — CID 151934369

IUPAC3-phosphanylpropyl prop-2-enoate
SMILESC=CC(=O)OCCCP
InChIInChI=1S/C6H11O2P/c1-2-6(7)8-4-3-5-9/h2H,1,3-5,9H2
InChIKeySZLWLZHHIPAKAD-UHFFFAOYSA-N
MW146.13 g/mol
LogP0.98
Rot. Bonds4

About 3-phosphanylpropyl prop-2-enoate

3-phosphanylpropyl prop-2-enoate (PubChem CID 151934369) has the molecular formula C6H11O2P and a molecular weight of 146.13 g/mol. Its IUPAC name is 3-phosphanylpropyl prop-2-enoate.

Molecular Properties

Compound Name3-phosphanylpropyl prop-2-enoate
PubChem CID151934369
Molecular FormulaC6H11O2P
Molecular Weight146.13 g/mol
Exact Mass146.05
IUPAC Name3-phosphanylpropyl prop-2-enoate
SMILESC=CC(=O)OCCCP
InChIInChI=1S/C6H11O2P/c1-2-6(7)8-4-3-5-9/h2H,1,3-5,9H2
InChIKeySZLWLZHHIPAKAD-UHFFFAOYSA-N
XLogP0.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.13
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
3-nitrosopropyl prop-2-enoate
CID 88958376
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
3-[2-[2-(3-prop-2-enoyloxypropoxy)ethoxy]ethoxy]propyl prop-2-enoate
CID 151846925
3-carbamoyloxypropyl prop-2-enoate
CID 58831010
CID 136825678
CID 136825678
4-methoxybutyl prop-2-enoate
CID 22321356
11-hydroxyundecyl prop-2-enoate
CID 54223498
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
10-hydroxydecyl prop-2-enoate
CID 14715958

Frequently Asked Questions

What is the IUPAC name of 3-phosphanylpropyl prop-2-enoate?
The IUPAC name of 3-phosphanylpropyl prop-2-enoate (CID 151934369) is 3-phosphanylpropyl prop-2-enoate.
What is the SMILES notation for 3-phosphanylpropyl prop-2-enoate?
The canonical SMILES for 3-phosphanylpropyl prop-2-enoate is C=CC(=O)OCCCP.
What is the InChIKey of 3-phosphanylpropyl prop-2-enoate?
The InChIKey is SZLWLZHHIPAKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11O2P/c1-2-6(7)8-4-3-5-9/h2H,1,3-5,9H2.
What are the key properties of 3-phosphanylpropyl prop-2-enoate?
3-phosphanylpropyl prop-2-enoate has a molecular weight of 146.13 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phosphanylpropyl prop-2-enoate is sourced from PubChem (CID 151934369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).