[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate

C16H26O3 — CID 87703227

IUPAC[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
SMILESCCC/C=C(/CC)C(=O)OC(=O)/C(=C\CCC)CC
InChIInChI=1S/C16H26O3/c1-5-9-11-13(7-3)15(17)19-16(18)14(8-4)12-10-6-2/h11-12H,5-10H2,1-4H3/b13-11-,14-12-
InChIKeyORYOKKAEFMIUOF-XSYHWHKQSA-N
MW266.38 g/mol
LogP4.33
Rot. Bonds8

About [(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate

[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate (PubChem CID 87703227) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is [(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate.

Molecular Properties

Compound Name[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
PubChem CID87703227
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
SMILESCCC/C=C(/CC)C(=O)OC(=O)/C(=C\CCC)CC
InChIInChI=1S/C16H26O3/c1-5-9-11-13(7-3)15(17)19-16(18)14(8-4)12-10-6-2/h11-12H,5-10H2,1-4H3/b13-11-,14-12-
InChIKeyORYOKKAEFMIUOF-XSYHWHKQSA-N
XLogP4.33
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxyacetyl) 2-ethylhex-2-enoate
CID 173257030
prop-2-enyl 2-ethylhex-2-enoate
CID 139948290
(E)-2-ethylhex-2-enamide
CID 87982228
3-[2-(carboxymethyl)hex-2-enoyloxycarbonyloxycarbonyl]hept-3-enoic acid
CID 173039953
methyl (E)-2-ethyldec-2-enoate
CID 25232141
2-propylhex-2-eneperoxoic acid
CID 175435177
2-ethylhexanoyl 2-ethylhexaneperoxoate;2-ethylhex-2-enoyl 2-ethylhex-2-eneperoxoate
CID 173301217
propyl 2-ethyldodec-2-enoate
CID 175495341
6-ethyldec-6-ene-2,5-dione
CID 57181280
2-ethoxyacetic acid;2-ethylhex-2-enoic acid
CID 173257029
6-ethyl-4-fluorodeca-3,6-dien-5-one
CID 139816653
4-ethyl-3-methylideneoct-4-ene
CID 54376139

Frequently Asked Questions

What is the IUPAC name of [(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate?
The IUPAC name of [(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate (CID 87703227) is [(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate.
What is the SMILES notation for [(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate?
The canonical SMILES for [(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate is CCC/C=C(/CC)C(=O)OC(=O)/C(=C\CCC)CC.
What is the InChIKey of [(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate?
The InChIKey is ORYOKKAEFMIUOF-XSYHWHKQSA-N. The full InChI is InChI=1S/C16H26O3/c1-5-9-11-13(7-3)15(17)19-16(18)14(8-4)12-10-6-2/h11-12H,5-10H2,1-4H3/b13-11-,14-12-.
What are the key properties of [(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate?
[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate has a molecular weight of 266.38 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate is sourced from PubChem (CID 87703227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).