(2-tert-butyl-3-methylbut-2-enyl) acetate

C11H20O2 — CID 170849107

IUPAC(2-tert-butyl-3-methylbut-2-enyl) acetate
SMILESCC(=O)OCC(=C(C)C)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-8(2)10(11(4,5)6)7-13-9(3)12/h7H2,1-6H3
InChIKeyUXZXKHZHJCLUCG-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.93
Rot. Bonds2

About (2-tert-butyl-3-methylbut-2-enyl) acetate

(2-tert-butyl-3-methylbut-2-enyl) acetate (PubChem CID 170849107) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (2-tert-butyl-3-methylbut-2-enyl) acetate.

Molecular Properties

Compound Name(2-tert-butyl-3-methylbut-2-enyl) acetate
PubChem CID170849107
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(2-tert-butyl-3-methylbut-2-enyl) acetate
SMILESCC(=O)OCC(=C(C)C)C(C)(C)C
InChIInChI=1S/C11H20O2/c1-8(2)10(11(4,5)6)7-13-9(3)12/h7H2,1-6H3
InChIKeyUXZXKHZHJCLUCG-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-tert-butyl-3-methylbut-2-enyl) acetate 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

(4-acetyloxy-2,3-dioxobutyl) acetate
CID 10679601
methanol;2-oxopropyl acetate
CID 174729097
2-oxopropyl acetate;bis(vanadium)
CID 175077929
tert-butyl 3-acetyloxy-2-oxopropanoate
CID 172764562
bis(2-acetyloxyacetic acid);palladium
CID 156697217
2,2-dimethylpropyl acetate
CID 13552
(3-amino-2-oxopropyl) acetate
CID 22165502
(2-carboxyoxy-2-methylpropyl) acetate
CID 151546232
(3-iodo-2-oxopropyl) acetate
CID 54597592
[4-(acetyloxymethyl)-2-methylidene-3-oxopent-4-enyl] acetate
CID 54165995
[2-(tert-butylcarbamoylamino)-2-oxoethyl] acetate
CID 2108654
(4-hexyl-4-methyl-2-oxodecyl) acetate
CID 138569199

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-3-methylbut-2-enyl) acetate?
The IUPAC name of (2-tert-butyl-3-methylbut-2-enyl) acetate (CID 170849107) is (2-tert-butyl-3-methylbut-2-enyl) acetate.
What is the SMILES notation for (2-tert-butyl-3-methylbut-2-enyl) acetate?
The canonical SMILES for (2-tert-butyl-3-methylbut-2-enyl) acetate is CC(=O)OCC(=C(C)C)C(C)(C)C.
What is the InChIKey of (2-tert-butyl-3-methylbut-2-enyl) acetate?
The InChIKey is UXZXKHZHJCLUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2/c1-8(2)10(11(4,5)6)7-13-9(3)12/h7H2,1-6H3.
What are the key properties of (2-tert-butyl-3-methylbut-2-enyl) acetate?
(2-tert-butyl-3-methylbut-2-enyl) acetate has a molecular weight of 184.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-3-methylbut-2-enyl) acetate is sourced from PubChem (CID 170849107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).