(3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate

C11H18O4 — CID 21403547

IUPAC(3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C(C)OC(C)=O
InChIInChI=1S/C11H18O4/c1-7(2)10(13)15-11(5,6)8(3)14-9(4)12/h8H,1H2,2-6H3
InChIKeyIPXFKFGUAUYPEX-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.84
Rot. Bonds4

About (3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate

(3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate (PubChem CID 21403547) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate
PubChem CID21403547
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name(3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)C(C)OC(C)=O
InChIInChI=1S/C11H18O4/c1-7(2)10(13)15-11(5,6)8(3)14-9(4)12/h8H,1H2,2-6H3
InChIKeyIPXFKFGUAUYPEX-UHFFFAOYSA-N
XLogP1.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-1-(2-methylprop-2-enoyloxy)butyl] 2-methylprop-2-enoate
CID 139940333
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate
CID 159858483
1-acetyloxyethyl 2-methylprop-2-enoate
CID 18517368
[4-hydroxy-5,5-dimethyl-4-(2-methylprop-2-enoyloxy)hexan-3-yl] 2-methylprop-2-enoate
CID 156636376
3,3-dimethylpentan-2-yl acetate
CID 55253134
(3-ethyl-2,4-dimethylhexan-3-yl) 2-methylprop-2-enoate
CID 160518137
azane;(3-chloro-3-methylbutan-2-yl) 2-methylprop-2-enoate
CID 87146988
propan-2-yl 2-methylprop-2-enoate
CID 146421311
3-methylpent-1-yn-3-yl 2-methylprop-2-enoate
CID 54513206
1,1,1-trihydroxypropan-2-yl acetate
CID 141411678
[(2R,3R)-3-(2-methylprop-2-enoyloxy)butan-2-yl] 2-methylprop-2-enoate
CID 91001649

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate (CID 21403547) is (3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)C(C)OC(C)=O.
What is the InChIKey of (3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate?
The InChIKey is IPXFKFGUAUYPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-7(2)10(13)15-11(5,6)8(3)14-9(4)12/h8H,1H2,2-6H3.
What are the key properties of (3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate?
(3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate has a molecular weight of 214.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-2-methylbutan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 21403547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).