(1,4-diethylcyclohexyl) 2-methylprop-2-enoate

C14H24O2 — CID 58844030

IUPAC(1,4-diethylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CC)CCC(CC)CC1
InChIInChI=1S/C14H24O2/c1-5-12-7-9-14(6-2,10-8-12)16-13(15)11(3)4/h12H,3,5-10H2,1-2,4H3
InChIKeyKCRUTKYIEDTDLN-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds4

About (1,4-diethylcyclohexyl) 2-methylprop-2-enoate

(1,4-diethylcyclohexyl) 2-methylprop-2-enoate (PubChem CID 58844030) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1,4-diethylcyclohexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1,4-diethylcyclohexyl) 2-methylprop-2-enoate
PubChem CID58844030
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1,4-diethylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(CC)CCC(CC)CC1
InChIInChI=1S/C14H24O2/c1-5-12-7-9-14(6-2,10-8-12)16-13(15)11(3)4/h12H,3,5-10H2,1-2,4H3
InChIKeyKCRUTKYIEDTDLN-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-ethyl-4-oxocyclohexyl) 2-methylprop-2-enoate
CID 88988887
[1-(aminomethyl)-4-ethylcyclohexyl] acetate
CID 151244439
(4-ethylcyclohexyl) 2-methylprop-2-enoate
CID 22250722
(3-propyl-7-oxabicyclo[4.1.0]heptan-3-yl) 2-methylprop-2-enoate
CID 139845851
(1,3-diethyl-3-hydroxy-5-methylcyclohexyl) 2-methylprop-2-enoate
CID 138600745
(1,2-diethylcyclooctyl) 2-methylprop-2-enoate
CID 175495311
(1-ethylcyclopentyl) 2-methylprop-2-enoate;2-prop-1-en-2-ylphenol
CID 22119740
(1-ethylcyclooctyl) 2-methylprop-2-enoate;[2-oxo-2-(2,2,2-trifluoroethoxy)ethyl] 2-methylprop-2-enoate
CID 170852401
ethylcyclobutane;tris(2-methylprop-2-enoic acid)
CID 67802354
(4-tert-butyl-1-ethylcyclohexyl) hydrogen carbonate
CID 135314707
(1-ethylcyclopentyl) 2-methylidenebut-3-enoate
CID 148827736
(1,2-diethyl-3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-yl) 2-methylprop-2-enoate
CID 164546618

Frequently Asked Questions

What is the IUPAC name of (1,4-diethylcyclohexyl) 2-methylprop-2-enoate?
The IUPAC name of (1,4-diethylcyclohexyl) 2-methylprop-2-enoate (CID 58844030) is (1,4-diethylcyclohexyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1,4-diethylcyclohexyl) 2-methylprop-2-enoate?
The canonical SMILES for (1,4-diethylcyclohexyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(CC)CCC(CC)CC1.
What is the InChIKey of (1,4-diethylcyclohexyl) 2-methylprop-2-enoate?
The InChIKey is KCRUTKYIEDTDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-12-7-9-14(6-2,10-8-12)16-13(15)11(3)4/h12H,3,5-10H2,1-2,4H3.
What are the key properties of (1,4-diethylcyclohexyl) 2-methylprop-2-enoate?
(1,4-diethylcyclohexyl) 2-methylprop-2-enoate has a molecular weight of 224.34 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-diethylcyclohexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 58844030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).