2,2-dicyclohexyloxyethyl prop-2-enoate

C17H28O4 — CID 57291366

IUPAC2,2-dicyclohexyloxyethyl prop-2-enoate
SMILESC=CC(=O)OCC(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C17H28O4/c1-2-16(18)19-13-17(20-14-9-5-3-6-10-14)21-15-11-7-4-8-12-15/h2,14-15,17H,1,3-13H2
InChIKeyHBVFKUNWHXYJDZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.74
Rot. Bonds7

About 2,2-dicyclohexyloxyethyl prop-2-enoate

2,2-dicyclohexyloxyethyl prop-2-enoate (PubChem CID 57291366) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2,2-dicyclohexyloxyethyl prop-2-enoate.

Molecular Properties

Compound Name2,2-dicyclohexyloxyethyl prop-2-enoate
PubChem CID57291366
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name2,2-dicyclohexyloxyethyl prop-2-enoate
SMILESC=CC(=O)OCC(OC1CCCCC1)OC1CCCCC1
InChIInChI=1S/C17H28O4/c1-2-16(18)19-13-17(20-14-9-5-3-6-10-14)21-15-11-7-4-8-12-15/h2,14-15,17H,1,3-13H2
InChIKeyHBVFKUNWHXYJDZ-UHFFFAOYSA-N
XLogP3.74
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2,2-di(cyclopenta-2,4-dien-1-yloxy)ethyl prop-2-enoate
CID 130298852
cyclododecyl prop-2-enoate;prop-2-enoic acid
CID 162264812
cyclohexyl prop-2-enoate;2-methylprop-1-ene
CID 174895643
2,2-bis(sulfanyl)ethyl prop-2-enoate
CID 150173166
cyclohexyl 2-methylprop-2-enoate;2-methoxyethyl prop-2-enoate
CID 159401375
[2-(oxan-2-yl)-2-trimethylsilylethyl] prop-2-enoate
CID 57284318
cyclopentyl prop-2-enoate;2-methylpropyl 2-methylprop-2-enoate
CID 175472887
[3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-2-hydroxypropyl] prop-2-enoate
CID 67621094
5-prop-2-enoyloxypentyl 2-cyclohexylprop-2-enoate
CID 69230771
2-hydroxy-3-prop-2-enoyloxypropanoic acid
CID 118523879
(2-hydroxy-2-sulfanylethyl) prop-2-enoate
CID 150473785
[3-oxo-3-[2-(3-prop-2-enoyloxypropanoyl)cyclohexyl]propyl] prop-2-enoate
CID 90972924

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyloxyethyl prop-2-enoate?
The IUPAC name of 2,2-dicyclohexyloxyethyl prop-2-enoate (CID 57291366) is 2,2-dicyclohexyloxyethyl prop-2-enoate.
What is the SMILES notation for 2,2-dicyclohexyloxyethyl prop-2-enoate?
The canonical SMILES for 2,2-dicyclohexyloxyethyl prop-2-enoate is C=CC(=O)OCC(OC1CCCCC1)OC1CCCCC1.
What is the InChIKey of 2,2-dicyclohexyloxyethyl prop-2-enoate?
The InChIKey is HBVFKUNWHXYJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O4/c1-2-16(18)19-13-17(20-14-9-5-3-6-10-14)21-15-11-7-4-8-12-15/h2,14-15,17H,1,3-13H2.
What are the key properties of 2,2-dicyclohexyloxyethyl prop-2-enoate?
2,2-dicyclohexyloxyethyl prop-2-enoate has a molecular weight of 296.41 g/mol, XLogP of 3.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyloxyethyl prop-2-enoate is sourced from PubChem (CID 57291366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).