prop-2-enyl 2,4-dimethyl-2-propylpentanoate

C13H24O2 — CID 166811220

IUPACprop-2-enyl 2,4-dimethyl-2-propylpentanoate
SMILESC=CCOC(=O)C(C)(CCC)CC(C)C
InChIInChI=1S/C13H24O2/c1-6-8-13(5,10-11(3)4)12(14)15-9-7-2/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyZLZNPONZKCOWKW-UHFFFAOYSA-N
MW212.33 g/mol
LogP3.57
Rot. Bonds7

About prop-2-enyl 2,4-dimethyl-2-propylpentanoate

prop-2-enyl 2,4-dimethyl-2-propylpentanoate (PubChem CID 166811220) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is prop-2-enyl 2,4-dimethyl-2-propylpentanoate.

Molecular Properties

Compound Nameprop-2-enyl 2,4-dimethyl-2-propylpentanoate
PubChem CID166811220
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Nameprop-2-enyl 2,4-dimethyl-2-propylpentanoate
SMILESC=CCOC(=O)C(C)(CCC)CC(C)C
InChIInChI=1S/C13H24O2/c1-6-8-13(5,10-11(3)4)12(14)15-9-7-2/h7,11H,2,6,8-10H2,1,3-5H3
InChIKeyZLZNPONZKCOWKW-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.57
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 prop-2-enyl 2,4-dimethyl-2-propylpentanoate?
The IUPAC name of prop-2-enyl 2,4-dimethyl-2-propylpentanoate (CID 166811220) is prop-2-enyl 2,4-dimethyl-2-propylpentanoate.
What is the SMILES notation for prop-2-enyl 2,4-dimethyl-2-propylpentanoate?
The canonical SMILES for prop-2-enyl 2,4-dimethyl-2-propylpentanoate is C=CCOC(=O)C(C)(CCC)CC(C)C.
What is the InChIKey of prop-2-enyl 2,4-dimethyl-2-propylpentanoate?
The InChIKey is ZLZNPONZKCOWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2/c1-6-8-13(5,10-11(3)4)12(14)15-9-7-2/h7,11H,2,6,8-10H2,1,3-5H3.
What are the key properties of prop-2-enyl 2,4-dimethyl-2-propylpentanoate?
prop-2-enyl 2,4-dimethyl-2-propylpentanoate has a molecular weight of 212.33 g/mol, XLogP of 3.57, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2,4-dimethyl-2-propylpentanoate is sourced from PubChem (CID 166811220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).