4-(1-cyanoethoxy)butyl prop-2-enoate

C10H15NO3 — CID 141064228

IUPAC4-(1-cyanoethoxy)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOC(C)C#N
InChIInChI=1S/C10H15NO3/c1-3-10(12)14-7-5-4-6-13-9(2)8-11/h3,9H,1,4-7H2,2H3
InChIKeyMJMASVGRRPMXHC-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.42
Rot. Bonds7

About 4-(1-cyanoethoxy)butyl prop-2-enoate

4-(1-cyanoethoxy)butyl prop-2-enoate (PubChem CID 141064228) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-(1-cyanoethoxy)butyl prop-2-enoate.

Molecular Properties

Compound Name4-(1-cyanoethoxy)butyl prop-2-enoate
PubChem CID141064228
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-(1-cyanoethoxy)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCOC(C)C#N
InChIInChI=1S/C10H15NO3/c1-3-10(12)14-7-5-4-6-13-9(2)8-11/h3,9H,1,4-7H2,2H3
InChIKeyMJMASVGRRPMXHC-UHFFFAOYSA-N
XLogP1.42
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.42
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'}

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Related Compounds

4-[1-(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 164930004
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
2-[1-[5-[1-(2-prop-2-enoyloxyethoxy)ethoxy]pentoxy]ethoxy]ethyl prop-2-enoate
CID 140791658
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
decyl prop-2-enoate;prop-2-enenitrile
CID 18458407
(6-methyl-5-propan-2-ylheptyl) prop-2-enoate
CID 162450476
4-methoxybutyl prop-2-enoate
CID 22321356
decyl prop-2-enoate;dodecyl prop-2-enoate;3-methylbutyl prop-2-enoate;octadecyl prop-2-enoate;octyl prop-2-enoate
CID 175298158
3-cyanatopropyl prop-2-enoate
CID 54399248
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
10-thiocyanatodecyl prop-2-enoate
CID 15153835

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyanoethoxy)butyl prop-2-enoate?
The IUPAC name of 4-(1-cyanoethoxy)butyl prop-2-enoate (CID 141064228) is 4-(1-cyanoethoxy)butyl prop-2-enoate.
What is the SMILES notation for 4-(1-cyanoethoxy)butyl prop-2-enoate?
The canonical SMILES for 4-(1-cyanoethoxy)butyl prop-2-enoate is C=CC(=O)OCCCCOC(C)C#N.
What is the InChIKey of 4-(1-cyanoethoxy)butyl prop-2-enoate?
The InChIKey is MJMASVGRRPMXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-10(12)14-7-5-4-6-13-9(2)8-11/h3,9H,1,4-7H2,2H3.
What are the key properties of 4-(1-cyanoethoxy)butyl prop-2-enoate?
4-(1-cyanoethoxy)butyl prop-2-enoate has a molecular weight of 197.23 g/mol, XLogP of 1.42, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyanoethoxy)butyl prop-2-enoate is sourced from PubChem (CID 141064228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).