methyl 4-methyl-2-methylidenepentanoate

C8H14O2 — CID 22127992

IUPACmethyl 4-methyl-2-methylidenepentanoate
SMILESC=C(CC(C)C)C(=O)OC
InChIInChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InChIKeyFVAWMVZVWUHHOB-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.76
Rot. Bonds3

About methyl 4-methyl-2-methylidenepentanoate

methyl 4-methyl-2-methylidenepentanoate (PubChem CID 22127992) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is methyl 4-methyl-2-methylidenepentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-methylidenepentanoate
PubChem CID22127992
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namemethyl 4-methyl-2-methylidenepentanoate
SMILESC=C(CC(C)C)C(=O)OC
InChIInChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3
InChIKeyFVAWMVZVWUHHOB-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-methylidenepentanoate?
The IUPAC name of methyl 4-methyl-2-methylidenepentanoate (CID 22127992) is methyl 4-methyl-2-methylidenepentanoate.
What is the SMILES notation for methyl 4-methyl-2-methylidenepentanoate?
The canonical SMILES for methyl 4-methyl-2-methylidenepentanoate is C=C(CC(C)C)C(=O)OC.
What is the InChIKey of methyl 4-methyl-2-methylidenepentanoate?
The InChIKey is FVAWMVZVWUHHOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-6(2)5-7(3)8(9)10-4/h6H,3,5H2,1-2,4H3.
What are the key properties of methyl 4-methyl-2-methylidenepentanoate?
methyl 4-methyl-2-methylidenepentanoate has a molecular weight of 142.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-methylidenepentanoate is sourced from PubChem (CID 22127992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).