but-2-enyl 2-methylbutanoate

C9H16O2 — CID 3024251

IUPACbut-2-enyl 2-methylbutanoate
SMILESCC=CCOC(=O)C(C)CC
InChIInChI=1S/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h4,6,8H,5,7H2,1-3H3
InChIKeyODIRHDSCHYCWHY-UHFFFAOYSA-N
MW156.22 g/mol
LogP2.15
Rot. Bonds4

About but-2-enyl 2-methylbutanoate

but-2-enyl 2-methylbutanoate (PubChem CID 3024251) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is but-2-enyl 2-methylbutanoate.

Molecular Properties

Compound Namebut-2-enyl 2-methylbutanoate
PubChem CID3024251
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Namebut-2-enyl 2-methylbutanoate
SMILESCC=CCOC(=O)C(C)CC
InChIInChI=1S/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h4,6,8H,5,7H2,1-3H3
InChIKeyODIRHDSCHYCWHY-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 52.15
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 but-2-enyl 2-methylbutanoate?
The IUPAC name of but-2-enyl 2-methylbutanoate (CID 3024251) is but-2-enyl 2-methylbutanoate.
What is the SMILES notation for but-2-enyl 2-methylbutanoate?
The canonical SMILES for but-2-enyl 2-methylbutanoate is CC=CCOC(=O)C(C)CC.
What is the InChIKey of but-2-enyl 2-methylbutanoate?
The InChIKey is ODIRHDSCHYCWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h4,6,8H,5,7H2,1-3H3.
What are the key properties of but-2-enyl 2-methylbutanoate?
but-2-enyl 2-methylbutanoate has a molecular weight of 156.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-enyl 2-methylbutanoate is sourced from PubChem (CID 3024251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).