2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate

C11H16O4 — CID 139836551

IUPAC2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate
SMILESC=CC(=O)OC(=C)C(=O)OCC(C)CC
InChIInChI=1S/C11H16O4/c1-5-8(3)7-14-11(13)9(4)15-10(12)6-2/h6,8H,2,4-5,7H2,1,3H3
InChIKeyJLFVSIQFURXCDV-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.82
Rot. Bonds6

About 2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate

2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate (PubChem CID 139836551) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate.

Molecular Properties

Compound Name2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate
PubChem CID139836551
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate
SMILESC=CC(=O)OC(=C)C(=O)OCC(C)CC
InChIInChI=1S/C11H16O4/c1-5-8(3)7-14-11(13)9(4)15-10(12)6-2/h6,8H,2,4-5,7H2,1,3H3
InChIKeyJLFVSIQFURXCDV-UHFFFAOYSA-N
XLogP1.82
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-methylbutyl 2-prop-2-enoyloxyprop-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

2-methylbutyl 2-methylidenebutanoate
CID 57090354
[(2S)-2-methylbutyl] (3S)-3-hydroxy-2-methylidenebutanoate
CID 163002337
2-methylbutyl (E)-3-methylpent-2-enoate
CID 11321355
4-(2-methylbutoxycarbonyl)penta-2,4-dienoic acid
CID 87339303
[(2R)-2-methylbutyl] (Z)-2-methylbut-2-enoate
CID 92973620
4-methylhexyl prop-2-enoate
CID 58980362
[2-methyl-3-(2-methyl-3-prop-2-enoyloxypropoxy)carbonyloxypropyl] prop-2-enoate
CID 139835678
2-methylbutyl 2,2,4,4-tetramethylhex-5-enoate
CID 174351541
tert-butyl 2-prop-2-enoyloxyprop-2-enoate
CID 141320515
2-methyl-1-prop-1-en-2-yloxybutane
CID 123339026
2-methylbutyl acetate
CID 90958828
2-[2-(2-methylbutoxy)ethoxycarbonylamino]ethyl prop-2-enoate
CID 58252677

Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate?
The IUPAC name of 2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate (CID 139836551) is 2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate.
What is the SMILES notation for 2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate?
The canonical SMILES for 2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate is C=CC(=O)OC(=C)C(=O)OCC(C)CC.
What is the InChIKey of 2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate?
The InChIKey is JLFVSIQFURXCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-5-8(3)7-14-11(13)9(4)15-10(12)6-2/h6,8H,2,4-5,7H2,1,3H3.
What are the key properties of 2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate?
2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate has a molecular weight of 212.24 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl 2-prop-2-enoyloxyprop-2-enoate is sourced from PubChem (CID 139836551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).