ethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate

C10H18O3 — CID 134985860

IUPACethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate
SMILESC/C=C(/OCC(=O)OCC)C(C)C
InChIInChI=1S/C10H18O3/c1-5-9(8(3)4)13-7-10(11)12-6-2/h5,8H,6-7H2,1-4H3/b9-5+
InChIKeySWKCMNYFAVHGBQ-WEVVVXLNSA-N
MW186.25 g/mol
LogP2.13
Rot. Bonds5

About ethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate

ethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate (PubChem CID 134985860) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is ethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate
PubChem CID134985860
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Nameethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate
SMILESC/C=C(/OCC(=O)OCC)C(C)C
InChIInChI=1S/C10H18O3/c1-5-9(8(3)4)13-7-10(11)12-6-2/h5,8H,6-7H2,1-4H3/b9-5+
InChIKeySWKCMNYFAVHGBQ-WEVVVXLNSA-N
XLogP2.13
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate?
The IUPAC name of ethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate (CID 134985860) is ethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate?
The canonical SMILES for ethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate is C/C=C(/OCC(=O)OCC)C(C)C.
What is the InChIKey of ethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate?
The InChIKey is SWKCMNYFAVHGBQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H18O3/c1-5-9(8(3)4)13-7-10(11)12-6-2/h5,8H,6-7H2,1-4H3/b9-5+.
What are the key properties of ethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate?
ethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate has a molecular weight of 186.25 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-4-methylpent-2-en-3-yl]oxyacetate is sourced from PubChem (CID 134985860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).