4-methoxybutyl prop-2-enoate

C8H14O3 — CID 22321356

IUPAC4-methoxybutyl prop-2-enoate
SMILESC=CC(=O)OCCCCOC
InChIInChI=1S/C8H14O3/c1-3-8(9)11-7-5-4-6-10-2/h3H,1,4-7H2,2H3
InChIKeyGAKWESOCALHOKH-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.14
Rot. Bonds6

About 4-methoxybutyl prop-2-enoate

4-methoxybutyl prop-2-enoate (PubChem CID 22321356) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 4-methoxybutyl prop-2-enoate.

Molecular Properties

Compound Name4-methoxybutyl prop-2-enoate
PubChem CID22321356
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name4-methoxybutyl prop-2-enoate
SMILESC=CC(=O)OCCCCOC
InChIInChI=1S/C8H14O3/c1-3-8(9)11-7-5-4-6-10-2/h3H,1,4-7H2,2H3
InChIKeyGAKWESOCALHOKH-UHFFFAOYSA-N
XLogP1.14
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
docosyl prop-2-enoate;henicosyl prop-2-enoate;icosyl prop-2-enoate;tetracosyl prop-2-enoate;tricosyl prop-2-enoate
CID 159127322
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
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
CID 159699669
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
4,4-bis(2-methoxyethoxy)butyl prop-2-enoate
CID 87318411
hexadecyl prop-2-enoate;hydrofluoride
CID 159337716

Frequently Asked Questions

What is the IUPAC name of 4-methoxybutyl prop-2-enoate?
The IUPAC name of 4-methoxybutyl prop-2-enoate (CID 22321356) is 4-methoxybutyl prop-2-enoate.
What is the SMILES notation for 4-methoxybutyl prop-2-enoate?
The canonical SMILES for 4-methoxybutyl prop-2-enoate is C=CC(=O)OCCCCOC.
What is the InChIKey of 4-methoxybutyl prop-2-enoate?
The InChIKey is GAKWESOCALHOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-3-8(9)11-7-5-4-6-10-2/h3H,1,4-7H2,2H3.
What are the key properties of 4-methoxybutyl prop-2-enoate?
4-methoxybutyl prop-2-enoate has a molecular weight of 158.20 g/mol, XLogP of 1.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybutyl prop-2-enoate is sourced from PubChem (CID 22321356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).