3-pent-4-enoxybutyl 2-methylprop-2-enoate

C13H22O3 — CID 141278484

IUPAC3-pent-4-enoxybutyl 2-methylprop-2-enoate
SMILESC=CCCCOC(C)CCOC(=O)C(=C)C
InChIInChI=1S/C13H22O3/c1-5-6-7-9-15-12(4)8-10-16-13(14)11(2)3/h5,12H,1-2,6-10H2,3-4H3
InChIKeyUGQYZRQNAFOMBA-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.87
Rot. Bonds9

About 3-pent-4-enoxybutyl 2-methylprop-2-enoate

3-pent-4-enoxybutyl 2-methylprop-2-enoate (PubChem CID 141278484) has the molecular formula C13H22O3 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-pent-4-enoxybutyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-pent-4-enoxybutyl 2-methylprop-2-enoate
PubChem CID141278484
Molecular FormulaC13H22O3
Molecular Weight226.32 g/mol
Exact Mass226.16
IUPAC Name3-pent-4-enoxybutyl 2-methylprop-2-enoate
SMILESC=CCCCOC(C)CCOC(=O)C(=C)C
InChIInChI=1S/C13H22O3/c1-5-6-7-9-15-12(4)8-10-16-13(14)11(2)3/h5,12H,1-2,6-10H2,3-4H3
InChIKeyUGQYZRQNAFOMBA-UHFFFAOYSA-N
XLogP2.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-silyloxyethoxy)butyl 2-methylprop-2-enoate
CID 173268327
3-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 22641153
3-propan-2-yloxypropyl 2-methylprop-2-enoate
CID 23399612
9-propan-2-yloxynonyl 2-methylprop-2-enoate
CID 58451766
2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]propoxy]ethyl 2-methylprop-2-enoate;bis(prop-1-ene)
CID 87981100
4-(2-methylprop-2-enoyloxy)butan-2-ylphosphonic acid
CID 87771040
2-[5-(2-methoxyethoxy)hexan-3-yloxy]ethyl 2-methylprop-2-enoate
CID 23599748
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;hexakis(prop-1-ene)
CID 173226000
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;dodecakis(prop-1-ene)
CID 173326779
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;nonakis(prop-1-ene)
CID 173068986
5-methoxyhexyl 2-methylprop-2-enoate
CID 164776175
3-diacetyloxysilyloxybutyl 2-methylprop-2-enoate
CID 173267989

Frequently Asked Questions

What is the IUPAC name of 3-pent-4-enoxybutyl 2-methylprop-2-enoate?
The IUPAC name of 3-pent-4-enoxybutyl 2-methylprop-2-enoate (CID 141278484) is 3-pent-4-enoxybutyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-pent-4-enoxybutyl 2-methylprop-2-enoate?
The canonical SMILES for 3-pent-4-enoxybutyl 2-methylprop-2-enoate is C=CCCCOC(C)CCOC(=O)C(=C)C.
What is the InChIKey of 3-pent-4-enoxybutyl 2-methylprop-2-enoate?
The InChIKey is UGQYZRQNAFOMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O3/c1-5-6-7-9-15-12(4)8-10-16-13(14)11(2)3/h5,12H,1-2,6-10H2,3-4H3.
What are the key properties of 3-pent-4-enoxybutyl 2-methylprop-2-enoate?
3-pent-4-enoxybutyl 2-methylprop-2-enoate has a molecular weight of 226.32 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-4-enoxybutyl 2-methylprop-2-enoate is sourced from PubChem (CID 141278484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).