methyl 2-ethylpent-3-enoate

C8H14O2 — CID 154241001

IUPACmethyl 2-ethylpent-3-enoate
SMILESCC=CC(CC)C(=O)OC
InChIInChI=1S/C8H14O2/c1-4-6-7(5-2)8(9)10-3/h4,6-7H,5H2,1-3H3
InChIKeyOBRPAGYEDIETCF-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.76
Rot. Bonds3

About methyl 2-ethylpent-3-enoate

methyl 2-ethylpent-3-enoate (PubChem CID 154241001) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is methyl 2-ethylpent-3-enoate.

Molecular Properties

Compound Namemethyl 2-ethylpent-3-enoate
PubChem CID154241001
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namemethyl 2-ethylpent-3-enoate
SMILESCC=CC(CC)C(=O)OC
InChIInChI=1S/C8H14O2/c1-4-6-7(5-2)8(9)10-3/h4,6-7H,5H2,1-3H3
InChIKeyOBRPAGYEDIETCF-UHFFFAOYSA-N
XLogP1.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-ethylpent-3-enoic acid
CID 12678748
methyl (E)-2-ethyl-4-phenylbut-3-enoate
CID 23244812
methyl (2S)-2-methanimidoylbutanoate
CID 174333241
dimethyl (2S,4S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(E)-prop-1-enyl]pentanedioate
CID 135696834
methyl (E)-2-fluoropent-3-enoate
CID 134934364
ethane;methyl (Z,2R)-2-ethyl-4-hydroxy-4-methoxybut-3-enoate;zinc
CID 146163625
methyl (E)-5-[tert-butyl(dimethyl)silyl]oxy-2-ethylhex-3-enoate
CID 139263493
methyl 2-formylpent-3-enoate
CID 174719827
dimethyl 2-[(2S)-pent-3-en-2-yl]propanedioate
CID 71353603
ethyl N-[(E)-hex-4-en-3-yl]carbamate
CID 11030282
methyl (E)-2-hydroxyhex-3-enoate
CID 122163215
methyl (2R,3S)-3-methyl-5-oxo-2-[(E)-prop-1-enyl]heptanoate
CID 101229604

Frequently Asked Questions

What is the IUPAC name of methyl 2-ethylpent-3-enoate?
The IUPAC name of methyl 2-ethylpent-3-enoate (CID 154241001) is methyl 2-ethylpent-3-enoate.
What is the SMILES notation for methyl 2-ethylpent-3-enoate?
The canonical SMILES for methyl 2-ethylpent-3-enoate is CC=CC(CC)C(=O)OC.
What is the InChIKey of methyl 2-ethylpent-3-enoate?
The InChIKey is OBRPAGYEDIETCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-6-7(5-2)8(9)10-3/h4,6-7H,5H2,1-3H3.
What are the key properties of methyl 2-ethylpent-3-enoate?
methyl 2-ethylpent-3-enoate has a molecular weight of 142.20 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethylpent-3-enoate is sourced from PubChem (CID 154241001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).