2-methylbut-3-en-2-yl 2,2-dimethylpropanoate

C10H18O2 — CID 58962109

IUPAC2-methylbut-3-en-2-yl 2,2-dimethylpropanoate
SMILESC=CC(C)(C)OC(=O)C(C)(C)C
InChIInChI=1S/C10H18O2/c1-7-10(5,6)12-8(11)9(2,3)4/h7H,1H2,2-6H3
InChIKeyGQIZUATZCWBHJA-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.54
Rot. Bonds2

About 2-methylbut-3-en-2-yl 2,2-dimethylpropanoate

2-methylbut-3-en-2-yl 2,2-dimethylpropanoate (PubChem CID 58962109) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 2-methylbut-3-en-2-yl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-methylbut-3-en-2-yl 2,2-dimethylpropanoate
PubChem CID58962109
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name2-methylbut-3-en-2-yl 2,2-dimethylpropanoate
SMILESC=CC(C)(C)OC(=O)C(C)(C)C
InChIInChI=1S/C10H18O2/c1-7-10(5,6)12-8(11)9(2,3)4/h7H,1H2,2-6H3
InChIKeyGQIZUATZCWBHJA-UHFFFAOYSA-N
XLogP2.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylbut-3-en-2-yl 2,2-dimethylpropanoate?
The IUPAC name of 2-methylbut-3-en-2-yl 2,2-dimethylpropanoate (CID 58962109) is 2-methylbut-3-en-2-yl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-methylbut-3-en-2-yl 2,2-dimethylpropanoate?
The canonical SMILES for 2-methylbut-3-en-2-yl 2,2-dimethylpropanoate is C=CC(C)(C)OC(=O)C(C)(C)C.
What is the InChIKey of 2-methylbut-3-en-2-yl 2,2-dimethylpropanoate?
The InChIKey is GQIZUATZCWBHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-7-10(5,6)12-8(11)9(2,3)4/h7H,1H2,2-6H3.
What are the key properties of 2-methylbut-3-en-2-yl 2,2-dimethylpropanoate?
2-methylbut-3-en-2-yl 2,2-dimethylpropanoate has a molecular weight of 170.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbut-3-en-2-yl 2,2-dimethylpropanoate is sourced from PubChem (CID 58962109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).