ethyl 2,3-diethyl-3-hydroxypent-4-enoate

C11H20O3 — CID 66037869

IUPACethyl 2,3-diethyl-3-hydroxypent-4-enoate
SMILESC=CC(O)(CC)C(CC)C(=O)OCC
InChIInChI=1S/C11H20O3/c1-5-9(10(12)14-8-4)11(13,6-2)7-3/h6,9,13H,2,5,7-8H2,1,3-4H3
InChIKeyKIYBAQFHLVZKRW-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.90
Rot. Bonds6

About ethyl 2,3-diethyl-3-hydroxypent-4-enoate

ethyl 2,3-diethyl-3-hydroxypent-4-enoate (PubChem CID 66037869) has the molecular formula C11H20O3 and a molecular weight of 200.28 g/mol. Its IUPAC name is ethyl 2,3-diethyl-3-hydroxypent-4-enoate.

Molecular Properties

Compound Nameethyl 2,3-diethyl-3-hydroxypent-4-enoate
PubChem CID66037869
Molecular FormulaC11H20O3
Molecular Weight200.28 g/mol
Exact Mass200.14
IUPAC Nameethyl 2,3-diethyl-3-hydroxypent-4-enoate
SMILESC=CC(O)(CC)C(CC)C(=O)OCC
InChIInChI=1S/C11H20O3/c1-5-9(10(12)14-8-4)11(13,6-2)7-3/h6,9,13H,2,5,7-8H2,1,3-4H3
InChIKeyKIYBAQFHLVZKRW-UHFFFAOYSA-N
XLogP1.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 ethyl 2,3-diethyl-3-hydroxypent-4-enoate?
The IUPAC name of ethyl 2,3-diethyl-3-hydroxypent-4-enoate (CID 66037869) is ethyl 2,3-diethyl-3-hydroxypent-4-enoate.
What is the SMILES notation for ethyl 2,3-diethyl-3-hydroxypent-4-enoate?
The canonical SMILES for ethyl 2,3-diethyl-3-hydroxypent-4-enoate is C=CC(O)(CC)C(CC)C(=O)OCC.
What is the InChIKey of ethyl 2,3-diethyl-3-hydroxypent-4-enoate?
The InChIKey is KIYBAQFHLVZKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O3/c1-5-9(10(12)14-8-4)11(13,6-2)7-3/h6,9,13H,2,5,7-8H2,1,3-4H3.
What are the key properties of ethyl 2,3-diethyl-3-hydroxypent-4-enoate?
ethyl 2,3-diethyl-3-hydroxypent-4-enoate has a molecular weight of 200.28 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-diethyl-3-hydroxypent-4-enoate is sourced from PubChem (CID 66037869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).