2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate

C11H14O3 — CID 154687080

IUPAC2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate
SMILESC=C/C=C(\C=C)OCCOC(=O)C=C
InChIInChI=1S/C11H14O3/c1-4-7-10(5-2)13-8-9-14-11(12)6-3/h4-7H,1-3,8-9H2/b10-7+
InChIKeyLGHAMLKHWYTUNM-JXMROGBWSA-N
MW194.23 g/mol
LogP1.99
Rot. Bonds7

About 2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate

2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate (PubChem CID 154687080) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate.

Molecular Properties

Compound Name2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate
PubChem CID154687080
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate
SMILESC=C/C=C(\C=C)OCCOC(=O)C=C
InChIInChI=1S/C11H14O3/c1-4-7-10(5-2)13-8-9-14-11(12)6-3/h4-7H,1-3,8-9H2/b10-7+
InChIKeyLGHAMLKHWYTUNM-JXMROGBWSA-N
XLogP1.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoyloxyethylperoxy)ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethylperoxy]ethoxy]ethyl prop-2-enoate
CID 135130326
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
2-[(3E)-hexa-1,3,5-trien-3-yl]sulfanylethyl prop-2-enoate
CID 155347809
2-chloroethyl prop-2-enoate
CID 16627
2-chloroethyl prop-2-enoate;ruthenium
CID 90254573
2-[2-[2-[6-[2-[2-(2-prop-2-enoyloxyethoxy)ethoxy]ethoxy]hexoxy]ethoxy]ethoxy]ethyl prop-2-enoate
CID 101134249
2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate
CID 13205776
2-prop-2-enoyloxyethoxyboronic acid
CID 123659445
ethane-1,2-diol;prop-2-enoyl chloride;2-prop-2-enoyloxyethyl prop-2-enoate
CID 160715574

Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate?
The IUPAC name of 2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate (CID 154687080) is 2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate.
What is the SMILES notation for 2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate?
The canonical SMILES for 2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate is C=C/C=C(\C=C)OCCOC(=O)C=C.
What is the InChIKey of 2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate?
The InChIKey is LGHAMLKHWYTUNM-JXMROGBWSA-N. The full InChI is InChI=1S/C11H14O3/c1-4-7-10(5-2)13-8-9-14-11(12)6-3/h4-7H,1-3,8-9H2/b10-7+.
What are the key properties of 2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate?
2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate has a molecular weight of 194.23 g/mol, XLogP of 1.99, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-hexa-1,3,5-trien-3-yl]oxyethyl prop-2-enoate is sourced from PubChem (CID 154687080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).