ethyl 3-hydroxy-2-methylidenepentanoate

C8H14O3 — CID 10103405

IUPACethyl 3-hydroxy-2-methylidenepentanoate
SMILESC=C(C(=O)OCC)C(O)CC
InChIInChI=1S/C8H14O3/c1-4-7(9)6(3)8(10)11-5-2/h7,9H,3-5H2,1-2H3
InChIKeyZGNHPSMAABYCMX-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.88
Rot. Bonds4

About ethyl 3-hydroxy-2-methylidenepentanoate

ethyl 3-hydroxy-2-methylidenepentanoate (PubChem CID 10103405) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethyl 3-hydroxy-2-methylidenepentanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-2-methylidenepentanoate
PubChem CID10103405
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Nameethyl 3-hydroxy-2-methylidenepentanoate
SMILESC=C(C(=O)OCC)C(O)CC
InChIInChI=1S/C8H14O3/c1-4-7(9)6(3)8(10)11-5-2/h7,9H,3-5H2,1-2H3
InChIKeyZGNHPSMAABYCMX-UHFFFAOYSA-N
XLogP0.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 ethyl 3-hydroxy-2-methylidenepentanoate?
The IUPAC name of ethyl 3-hydroxy-2-methylidenepentanoate (CID 10103405) is ethyl 3-hydroxy-2-methylidenepentanoate.
What is the SMILES notation for ethyl 3-hydroxy-2-methylidenepentanoate?
The canonical SMILES for ethyl 3-hydroxy-2-methylidenepentanoate is C=C(C(=O)OCC)C(O)CC.
What is the InChIKey of ethyl 3-hydroxy-2-methylidenepentanoate?
The InChIKey is ZGNHPSMAABYCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-7(9)6(3)8(10)11-5-2/h7,9H,3-5H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-2-methylidenepentanoate?
ethyl 3-hydroxy-2-methylidenepentanoate has a molecular weight of 158.20 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-2-methylidenepentanoate is sourced from PubChem (CID 10103405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).