(Z)-2-ethoxyhex-2-enoate

C8H13O3- — CID 23622057

IUPAC(Z)-2-ethoxyhex-2-enoate
SMILESCCC/C=C(\OCC)C(=O)[O-]
InChIInChI=1S/C8H14O3/c1-3-5-6-7(8(9)10)11-4-2/h6H,3-5H2,1-2H3,(H,9,10)/p-1/b7-6-
InChIKeyRJLRNXOYHXZTHJ-SREVYHEPSA-M
MW157.19 g/mol
LogP0.46
Rot. Bonds5

About (Z)-2-ethoxyhex-2-enoate

(Z)-2-ethoxyhex-2-enoate (PubChem CID 23622057) has the molecular formula C8H13O3- and a molecular weight of 157.19 g/mol. Its IUPAC name is (Z)-2-ethoxyhex-2-enoate.

Molecular Properties

Compound Name(Z)-2-ethoxyhex-2-enoate
PubChem CID23622057
Molecular FormulaC8H13O3-
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(Z)-2-ethoxyhex-2-enoate
SMILESCCC/C=C(\OCC)C(=O)[O-]
InChIInChI=1S/C8H14O3/c1-3-5-6-7(8(9)10)11-4-2/h6H,3-5H2,1-2H3,(H,9,10)/p-1/b7-6-
InChIKeyRJLRNXOYHXZTHJ-SREVYHEPSA-M
XLogP0.46
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-carbamoylhex-2-enoate
CID 90691154
potassium 2-ethoxy-2-oxoacetate
CID 23678856
CID 23064698
CID 23064698
(E)-2-trimethoxysilylhex-2-enoate
CID 23064713
azanium 2-ethoxy-2-oxoacetate
CID 141289359
(Z)-2-ethoxypent-2-enamide
CID 87204332
potassium 3-ethoxy-2-methyl-3-oxopropanoate
CID 23679020
potassium (Z)-1-ethoxy-3-oxobut-1-en-1-olate
CID 23661877
(Z)-2-aminohex-2-enamide
CID 55284106
sodium (Z)-4-ethoxy-2-ethoxycarbonyl-4-oxobut-2-enoate
CID 175971019
methyl (E)-2-hydroxy-3-methylhept-3-enoate
CID 22150999
3,4-diethoxyhexa-2,4-diene
CID 141009141

Frequently Asked Questions

What is the IUPAC name of (Z)-2-ethoxyhex-2-enoate?
The IUPAC name of (Z)-2-ethoxyhex-2-enoate (CID 23622057) is (Z)-2-ethoxyhex-2-enoate.
What is the SMILES notation for (Z)-2-ethoxyhex-2-enoate?
The canonical SMILES for (Z)-2-ethoxyhex-2-enoate is CCC/C=C(\OCC)C(=O)[O-].
What is the InChIKey of (Z)-2-ethoxyhex-2-enoate?
The InChIKey is RJLRNXOYHXZTHJ-SREVYHEPSA-M. The full InChI is InChI=1S/C8H14O3/c1-3-5-6-7(8(9)10)11-4-2/h6H,3-5H2,1-2H3,(H,9,10)/p-1/b7-6-.
What are the key properties of (Z)-2-ethoxyhex-2-enoate?
(Z)-2-ethoxyhex-2-enoate has a molecular weight of 157.19 g/mol, XLogP of 0.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-ethoxyhex-2-enoate is sourced from PubChem (CID 23622057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).