methyl 3-ethyl-2-hydroxypent-2-enoate

C8H14O3 — CID 139637597

IUPACmethyl 3-ethyl-2-hydroxypent-2-enoate
SMILESCCC(CC)=C(O)C(=O)OC
InChIInChI=1S/C8H14O3/c1-4-6(5-2)7(9)8(10)11-3/h9H,4-5H2,1-3H3
InChIKeyZWECLJKTWDNGHJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.79
Rot. Bonds3

About methyl 3-ethyl-2-hydroxypent-2-enoate

methyl 3-ethyl-2-hydroxypent-2-enoate (PubChem CID 139637597) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 3-ethyl-2-hydroxypent-2-enoate.

Molecular Properties

Compound Namemethyl 3-ethyl-2-hydroxypent-2-enoate
PubChem CID139637597
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl 3-ethyl-2-hydroxypent-2-enoate
SMILESCCC(CC)=C(O)C(=O)OC
InChIInChI=1S/C8H14O3/c1-4-6(5-2)7(9)8(10)11-3/h9H,4-5H2,1-3H3
InChIKeyZWECLJKTWDNGHJ-UHFFFAOYSA-N
XLogP1.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-2-hydroxypent-2-enoate?
The IUPAC name of methyl 3-ethyl-2-hydroxypent-2-enoate (CID 139637597) is methyl 3-ethyl-2-hydroxypent-2-enoate.
What is the SMILES notation for methyl 3-ethyl-2-hydroxypent-2-enoate?
The canonical SMILES for methyl 3-ethyl-2-hydroxypent-2-enoate is CCC(CC)=C(O)C(=O)OC.
What is the InChIKey of methyl 3-ethyl-2-hydroxypent-2-enoate?
The InChIKey is ZWECLJKTWDNGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-6(5-2)7(9)8(10)11-3/h9H,4-5H2,1-3H3.
What are the key properties of methyl 3-ethyl-2-hydroxypent-2-enoate?
methyl 3-ethyl-2-hydroxypent-2-enoate has a molecular weight of 158.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-2-hydroxypent-2-enoate is sourced from PubChem (CID 139637597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).