4-acetyloxybutyl 2-methylprop-2-enoate

C10H16O4 — CID 21403527

IUPAC4-acetyloxybutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOC(C)=O
InChIInChI=1S/C10H16O4/c1-8(2)10(12)14-7-5-4-6-13-9(3)11/h1,4-7H2,2-3H3
InChIKeyHDXRYXLMQDBFMS-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.45
Rot. Bonds6

About 4-acetyloxybutyl 2-methylprop-2-enoate

4-acetyloxybutyl 2-methylprop-2-enoate (PubChem CID 21403527) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4-acetyloxybutyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name4-acetyloxybutyl 2-methylprop-2-enoate
PubChem CID21403527
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4-acetyloxybutyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCCOC(C)=O
InChIInChI=1S/C10H16O4/c1-8(2)10(12)14-7-5-4-6-13-9(3)11/h1,4-7H2,2-3H3
InChIKeyHDXRYXLMQDBFMS-UHFFFAOYSA-N
XLogP1.45
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.45
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'}

Analyze 4-acetyloxybutyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis[4-(2-methylprop-2-enoyloxy)butyl] oxalate
CID 118147382
ethene;4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate;6-(2-methylprop-2-enoyloxy)hexyl 2-methylprop-2-enoate
CID 88685309
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789
4-[4-[4-(2-methylprop-2-enoyloxy)butoxy]butoxy]butyl 2-methylprop-2-enoate
CID 101360150
octatetracontyl 2-methylprop-2-enoate
CID 141233444
7-methoxyheptyl 2-methylprop-2-enoate
CID 58788817
10-(3-methylbuta-1,3-dien-2-yloxy)decyl 2-methylprop-2-enoate
CID 176866150
CID 174985776
CID 174985776
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 164995054
decyl 2-methylprop-2-enoate;dodecyl 2-methylprop-2-enoate;heptadecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;nonadecyl 2-methylprop-2-enoate;nonyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;pentadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate;tridecyl 2-methylprop-2-enoate;undecyl 2-methylprop-2-enoate
CID 161498189
dodecyl 2-methylprop-2-enoate;hexadecyl 2-methylprop-2-enoate;icosyl 2-methylprop-2-enoate;octadecyl 2-methylprop-2-enoate;tetradecyl 2-methylprop-2-enoate
CID 170851547
hexane-1,6-diol;9-(2-methylprop-2-enoyloxy)nonyl 2-methylprop-2-enoate
CID 90169594

Frequently Asked Questions

What is the IUPAC name of 4-acetyloxybutyl 2-methylprop-2-enoate?
The IUPAC name of 4-acetyloxybutyl 2-methylprop-2-enoate (CID 21403527) is 4-acetyloxybutyl 2-methylprop-2-enoate.
What is the SMILES notation for 4-acetyloxybutyl 2-methylprop-2-enoate?
The canonical SMILES for 4-acetyloxybutyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCCOC(C)=O.
What is the InChIKey of 4-acetyloxybutyl 2-methylprop-2-enoate?
The InChIKey is HDXRYXLMQDBFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-8(2)10(12)14-7-5-4-6-13-9(3)11/h1,4-7H2,2-3H3.
What are the key properties of 4-acetyloxybutyl 2-methylprop-2-enoate?
4-acetyloxybutyl 2-methylprop-2-enoate has a molecular weight of 200.23 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyloxybutyl 2-methylprop-2-enoate is sourced from PubChem (CID 21403527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).