ethyl 2-ethenylidene-3-hydroxypentanoate

C9H14O3 — CID 14226390

IUPACethyl 2-ethenylidene-3-hydroxypentanoate
SMILESC=C=C(C(=O)OCC)C(O)CC
InChIInChI=1S/C9H14O3/c1-4-7(8(10)5-2)9(11)12-6-3/h8,10H,1,5-6H2,2-3H3
InChIKeyBHJLNKFYANWDOM-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.03
Rot. Bonds4

About ethyl 2-ethenylidene-3-hydroxypentanoate

ethyl 2-ethenylidene-3-hydroxypentanoate (PubChem CID 14226390) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is ethyl 2-ethenylidene-3-hydroxypentanoate.

Molecular Properties

Compound Nameethyl 2-ethenylidene-3-hydroxypentanoate
PubChem CID14226390
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nameethyl 2-ethenylidene-3-hydroxypentanoate
SMILESC=C=C(C(=O)OCC)C(O)CC
InChIInChI=1S/C9H14O3/c1-4-7(8(10)5-2)9(11)12-6-3/h8,10H,1,5-6H2,2-3H3
InChIKeyBHJLNKFYANWDOM-UHFFFAOYSA-N
XLogP1.03
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.03
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 2-ethenylidene-3-hydroxypentanoate?
The IUPAC name of ethyl 2-ethenylidene-3-hydroxypentanoate (CID 14226390) is ethyl 2-ethenylidene-3-hydroxypentanoate.
What is the SMILES notation for ethyl 2-ethenylidene-3-hydroxypentanoate?
The canonical SMILES for ethyl 2-ethenylidene-3-hydroxypentanoate is C=C=C(C(=O)OCC)C(O)CC.
What is the InChIKey of ethyl 2-ethenylidene-3-hydroxypentanoate?
The InChIKey is BHJLNKFYANWDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-4-7(8(10)5-2)9(11)12-6-3/h8,10H,1,5-6H2,2-3H3.
What are the key properties of ethyl 2-ethenylidene-3-hydroxypentanoate?
ethyl 2-ethenylidene-3-hydroxypentanoate has a molecular weight of 170.21 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethenylidene-3-hydroxypentanoate is sourced from PubChem (CID 14226390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).