2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate

C11H20O3 — CID 88961771

IUPAC2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate
SMILESC=C(C)OCC(=O)OC(C)(C)C(C)C
InChIInChI=1S/C11H20O3/c1-8(2)11(5,6)14-10(12)7-13-9(3)4/h8H,3,7H2,1-2,4-6H3
InChIKeyWWNWOBMGCGOVDO-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.51
Rot. Bonds5

About 2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate

2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate (PubChem CID 88961771) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate.

Molecular Properties

Compound Name2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate
PubChem CID88961771
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Name2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate
SMILESC=C(C)OCC(=O)OC(C)(C)C(C)C
InChIInChI=1S/C11H20O3/c1-8(2)11(5,6)14-10(12)7-13-9(3)4/h8H,3,7H2,1-2,4-6H3
InChIKeyWWNWOBMGCGOVDO-UHFFFAOYSA-N
XLogP2.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate?
The IUPAC name of 2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate (CID 88961771) is 2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate.
What is the SMILES notation for 2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate?
The canonical SMILES for 2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate is C=C(C)OCC(=O)OC(C)(C)C(C)C.
What is the InChIKey of 2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate?
The InChIKey is WWNWOBMGCGOVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-8(2)11(5,6)14-10(12)7-13-9(3)4/h8H,3,7H2,1-2,4-6H3.
What are the key properties of 2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate?
2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate has a molecular weight of 200.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethylbutan-2-yl 2-prop-1-en-2-yloxyacetate is sourced from PubChem (CID 88961771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).