2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate

C16H26O4 — CID 19391086

IUPAC2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCCC)C(C)OC(=O)C(=C)C
InChIInChI=1S/C16H26O4/c1-7-8-9-14(10-19-15(17)11(2)3)13(6)20-16(18)12(4)5/h13-14H,2,4,7-10H2,1,3,5-6H3
InChIKeyVFGNZDRZUNKOAG-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.42
Rot. Bonds9

About 2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate

2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate (PubChem CID 19391086) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate
PubChem CID19391086
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(CCCC)C(C)OC(=O)C(=C)C
InChIInChI=1S/C16H26O4/c1-7-8-9-14(10-19-15(17)11(2)3)13(6)20-16(18)12(4)5/h13-14H,2,4,7-10H2,1,3,5-6H3
InChIKeyVFGNZDRZUNKOAG-UHFFFAOYSA-N
XLogP3.42
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-methylprop-2-enoyloxy)ethyl]pentyl 2-methylprop-2-enoate
CID 154099219
3-(hydroxymethyl)heptan-2-yl 2-methylprop-2-enoate
CID 54259962
butyl-dimethyl-[1-(2-methylprop-2-enoyloxy)ethyl]phosphanium
CID 175290626
[(2S)-2-ethylhexyl] 2-methylprop-2-enoate
CID 6993188
2-(2-methylprop-2-enoyloxy)decyl 2-methylprop-2-enoate
CID 87149420
butyl 2-methylprop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 20503506
(1-hydroxy-2-methylhexyl) 2-methylprop-2-enoate
CID 23431556
2-hexadecyldocosyl 2-methylprop-2-enoate
CID 140764286
2-heptylundecyl 2-methylprop-2-enoate
CID 90816570
[1-(2-ethylhexoxy)-1-oxopropan-2-yl] 2-methylprop-2-enoate
CID 139671212
1-chloropentyl 2-methylprop-2-enoate
CID 174740582
[(2R)-2-hydroxytetradecyl] 2-methylprop-2-enoate
CID 99121360

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate?
The IUPAC name of 2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate (CID 19391086) is 2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate?
The canonical SMILES for 2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate is C=C(C)C(=O)OCC(CCCC)C(C)OC(=O)C(=C)C.
What is the InChIKey of 2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate?
The InChIKey is VFGNZDRZUNKOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-7-8-9-14(10-19-15(17)11(2)3)13(6)20-16(18)12(4)5/h13-14H,2,4,7-10H2,1,3,5-6H3.
What are the key properties of 2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate?
2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate has a molecular weight of 282.38 g/mol, XLogP of 3.42, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methylprop-2-enoyloxy)ethyl]hexyl 2-methylprop-2-enoate is sourced from PubChem (CID 19391086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).