methyl (2E)-2-ethylidenepentanoate

C8H14O2 — CID 14934853

IUPACmethyl (2E)-2-ethylidenepentanoate
SMILESC/C=C(\CCC)C(=O)OC
InChIInChI=1S/C8H14O2/c1-4-6-7(5-2)8(9)10-3/h5H,4,6H2,1-3H3/b7-5+
InChIKeyXBPSCWNLCPNELY-FNORWQNLSA-N
MW142.20 g/mol
LogP1.91
Rot. Bonds3

About methyl (2E)-2-ethylidenepentanoate

methyl (2E)-2-ethylidenepentanoate (PubChem CID 14934853) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is methyl (2E)-2-ethylidenepentanoate.

Molecular Properties

Compound Namemethyl (2E)-2-ethylidenepentanoate
PubChem CID14934853
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Namemethyl (2E)-2-ethylidenepentanoate
SMILESC/C=C(\CCC)C(=O)OC
InChIInChI=1S/C8H14O2/c1-4-6-7(5-2)8(9)10-3/h5H,4,6H2,1-3H3/b7-5+
InChIKeyXBPSCWNLCPNELY-FNORWQNLSA-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

Methyl geranate
CID 5365910
Geranyl tiglate
CID 5367785
Geranyl valerate
CID 5365850
Neryl valerate
CID 6436375
Methyl nerate
CID 5365912
2-Hexenoic acid, 2-methyl-, methyl ester, (2E)-
CID 5364816
Methyl 3,7-dimethylocta-2,6-dienoate
CID 70917
Alpha,beta-acariolide
CID 11041080
Methyl cyclopent-1-ene-1-carboxylate
CID 549129
Methyl 3-methyl-2-hexenoate
CID 574152
Geranyl Angelate
CID 38988903
Methyl cyclohex-1-ene-1-carboxylate
CID 87647

Frequently Asked Questions

What is the IUPAC name of methyl (2E)-2-ethylidenepentanoate?
The IUPAC name of methyl (2E)-2-ethylidenepentanoate (CID 14934853) is methyl (2E)-2-ethylidenepentanoate.
What is the SMILES notation for methyl (2E)-2-ethylidenepentanoate?
The canonical SMILES for methyl (2E)-2-ethylidenepentanoate is C/C=C(\CCC)C(=O)OC.
What is the InChIKey of methyl (2E)-2-ethylidenepentanoate?
The InChIKey is XBPSCWNLCPNELY-FNORWQNLSA-N. The full InChI is InChI=1S/C8H14O2/c1-4-6-7(5-2)8(9)10-3/h5H,4,6H2,1-3H3/b7-5+.
What are the key properties of methyl (2E)-2-ethylidenepentanoate?
methyl (2E)-2-ethylidenepentanoate 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 methyl (2E)-2-ethylidenepentanoate is sourced from PubChem (CID 14934853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).