ethyl (E)-2-methylpent-2-enoate

C8H14O2 — CID 6436311

IUPACethyl (E)-2-methylpent-2-enoate
SMILESCC/C=C(\C)C(=O)OCC
InChIInChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h6H,4-5H2,1-3H3/b7-6+
InChIKeyHYQYCHQAUPHFKX-VOTSOKGWSA-N
MW142.20 g/mol
LogP1.91
Rot. Bonds3

About ethyl (E)-2-methylpent-2-enoate

ethyl (E)-2-methylpent-2-enoate (PubChem CID 6436311) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is ethyl (E)-2-methylpent-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-methylpent-2-enoate
PubChem CID6436311
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nameethyl (E)-2-methylpent-2-enoate
SMILESCC/C=C(\C)C(=O)OCC
InChIInChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h6H,4-5H2,1-3H3/b7-6+
InChIKeyHYQYCHQAUPHFKX-VOTSOKGWSA-N
XLogP1.91
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 ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

hydroxymethyl (E)-2-methylpent-2-enoate
CID 90459718
ethyl (E)-4-bromo-2-methylbut-2-enoate;methane
CID 158230787
chloromethyl 2-methylpent-2-enoate
CID 174869785
diethyl 2-methylpent-2-enedioate
CID 592902
2-hydroxyethyl 2-methylpent-2-enoate
CID 137318053
ethyl (Z)-2-fluoropent-2-enoate
CID 14691806
ethyl 3-amino-2-methylprop-2-enoate
CID 54558291
(E)-6-ethoxy-5-methyl-6-oxohex-4-enoic acid
CID 10679113
diethyl (2E,4E,6E)-2,7-dimethylocta-2,4,6-trienedioate
CID 14755504
ethyl 2-methyl-3-silylprop-2-enoate
CID 173118701
carbamoyl 2-methylpent-2-eneperoxoate
CID 173435442
2-(dimethylamino)ethyl 2-methylpent-2-enoate
CID 91329578

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-methylpent-2-enoate?
The IUPAC name of ethyl (E)-2-methylpent-2-enoate (CID 6436311) is ethyl (E)-2-methylpent-2-enoate.
What is the SMILES notation for ethyl (E)-2-methylpent-2-enoate?
The canonical SMILES for ethyl (E)-2-methylpent-2-enoate is CC/C=C(\C)C(=O)OCC.
What is the InChIKey of ethyl (E)-2-methylpent-2-enoate?
The InChIKey is HYQYCHQAUPHFKX-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h6H,4-5H2,1-3H3/b7-6+.
What are the key properties of ethyl (E)-2-methylpent-2-enoate?
ethyl (E)-2-methylpent-2-enoate has a molecular weight of 142.20 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-methylpent-2-enoate is sourced from PubChem (CID 6436311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).