methyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate

C11H20O3 — CID 123847774

IUPACmethyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate
SMILESC=CC(C)COC(C(=O)OC)C(C)C
InChIInChI=1S/C11H20O3/c1-6-9(4)7-14-10(8(2)3)11(12)13-5/h6,8-10H,1,7H2,2-5H3
InChIKeySVBWBEIBELIQLQ-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.02
Rot. Bonds6

About methyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate

methyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate (PubChem CID 123847774) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate
PubChem CID123847774
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Namemethyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate
SMILESC=CC(C)COC(C(=O)OC)C(C)C
InChIInChI=1S/C11H20O3/c1-6-9(4)7-14-10(8(2)3)11(12)13-5/h6,8-10H,1,7H2,2-5H3
InChIKeySVBWBEIBELIQLQ-UHFFFAOYSA-N
XLogP2.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate?
The IUPAC name of methyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate (CID 123847774) is methyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate.
What is the SMILES notation for methyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate?
The canonical SMILES for methyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate is C=CC(C)COC(C(=O)OC)C(C)C.
What is the InChIKey of methyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate?
The InChIKey is SVBWBEIBELIQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-6-9(4)7-14-10(8(2)3)11(12)13-5/h6,8-10H,1,7H2,2-5H3.
What are the key properties of methyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate?
methyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate has a molecular weight of 200.28 g/mol, XLogP of 2.02, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-(2-methylbut-3-enoxy)butanoate is sourced from PubChem (CID 123847774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).