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

C8H14O3 — CID 54062853

IUPACmethyl 3-ethyl-2-hydroxypent-3-enoate
SMILESCC=C(CC)C(O)C(=O)OC
InChIInChI=1S/C8H14O3/c1-4-6(5-2)7(9)8(10)11-3/h4,7,9H,5H2,1-3H3
InChIKeyMAYKQZAOVLUUDN-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.88
Rot. Bonds3

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

methyl 3-ethyl-2-hydroxypent-3-enoate (PubChem CID 54062853) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl 3-ethyl-2-hydroxypent-3-enoate.

Molecular Properties

Compound Namemethyl 3-ethyl-2-hydroxypent-3-enoate
PubChem CID54062853
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Namemethyl 3-ethyl-2-hydroxypent-3-enoate
SMILESCC=C(CC)C(O)C(=O)OC
InChIInChI=1S/C8H14O3/c1-4-6(5-2)7(9)8(10)11-3/h4,7,9H,5H2,1-3H3
InChIKeyMAYKQZAOVLUUDN-UHFFFAOYSA-N
XLogP0.88
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 ≤ 50.88
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 methyl 3-ethyl-2-hydroxypent-3-enoate?
The IUPAC name of methyl 3-ethyl-2-hydroxypent-3-enoate (CID 54062853) is methyl 3-ethyl-2-hydroxypent-3-enoate.
What is the SMILES notation for methyl 3-ethyl-2-hydroxypent-3-enoate?
The canonical SMILES for methyl 3-ethyl-2-hydroxypent-3-enoate is CC=C(CC)C(O)C(=O)OC.
What is the InChIKey of methyl 3-ethyl-2-hydroxypent-3-enoate?
The InChIKey is MAYKQZAOVLUUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c1-4-6(5-2)7(9)8(10)11-3/h4,7,9H,5H2,1-3H3.
What are the key properties of methyl 3-ethyl-2-hydroxypent-3-enoate?
methyl 3-ethyl-2-hydroxypent-3-enoate has a molecular weight of 158.20 g/mol, XLogP of 0.88, 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-3-enoate is sourced from PubChem (CID 54062853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).