(1,3-diethyl-3-methylcyclohexyl) prop-2-enoate

C14H24O2 — CID 89042692

IUPAC(1,3-diethyl-3-methylcyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1(CC)CCCC(C)(CC)C1
InChIInChI=1S/C14H24O2/c1-5-12(15)16-14(7-3)10-8-9-13(4,6-2)11-14/h5H,1,6-11H2,2-4H3
InChIKeyDQELPZVUPPMGDI-UHFFFAOYSA-N
MW224.34 g/mol
LogP3.85
Rot. Bonds4

About (1,3-diethyl-3-methylcyclohexyl) prop-2-enoate

(1,3-diethyl-3-methylcyclohexyl) prop-2-enoate (PubChem CID 89042692) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is (1,3-diethyl-3-methylcyclohexyl) prop-2-enoate.

Molecular Properties

Compound Name(1,3-diethyl-3-methylcyclohexyl) prop-2-enoate
PubChem CID89042692
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name(1,3-diethyl-3-methylcyclohexyl) prop-2-enoate
SMILESC=CC(=O)OC1(CC)CCCC(C)(CC)C1
InChIInChI=1S/C14H24O2/c1-5-12(15)16-14(7-3)10-8-9-13(4,6-2)11-14/h5H,1,6-11H2,2-4H3
InChIKeyDQELPZVUPPMGDI-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-propylcyclononyl) prop-2-enoate
CID 141276110
[1-(2-ethoxyethyl)cyclopropyl] prop-2-enoate
CID 57237184
(1-ethylcyclopentyl) 2-methylidenebut-3-enoate
CID 148827736
(1-ethylcyclopentyl) but-2-enoate
CID 150371556
(3-ethoxy-5,7-dimethyl-1-adamantyl) prop-2-enoate
CID 58013619
(1-propan-2-ylcyclobutyl) prop-2-enoate
CID 141276089
4-(1-ethylcyclohexyl)oxy-4-oxobut-2-enoic acid
CID 54551047
[5-hydroxy-3-(2-hydroxyethyl)-3-methyl-1-bicyclo[3.3.1]nonanyl] prop-2-enoate
CID 155094377
(1-ethenylcyclopropyl) prop-2-enoate
CID 22991067
[1-(3-ethylpentan-3-yl)cyclohexyl] prop-2-enoate
CID 66663238
(1,2,2-trimethylcyclooctyl) prop-2-enoate
CID 164546648
4-ethenylphenol;1-ethenyl-4-(1-propan-2-yloxyethoxy)benzene;(1-ethylcyclopentyl) prop-2-enoate
CID 175504080

Frequently Asked Questions

What is the IUPAC name of (1,3-diethyl-3-methylcyclohexyl) prop-2-enoate?
The IUPAC name of (1,3-diethyl-3-methylcyclohexyl) prop-2-enoate (CID 89042692) is (1,3-diethyl-3-methylcyclohexyl) prop-2-enoate.
What is the SMILES notation for (1,3-diethyl-3-methylcyclohexyl) prop-2-enoate?
The canonical SMILES for (1,3-diethyl-3-methylcyclohexyl) prop-2-enoate is C=CC(=O)OC1(CC)CCCC(C)(CC)C1.
What is the InChIKey of (1,3-diethyl-3-methylcyclohexyl) prop-2-enoate?
The InChIKey is DQELPZVUPPMGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c1-5-12(15)16-14(7-3)10-8-9-13(4,6-2)11-14/h5H,1,6-11H2,2-4H3.
What are the key properties of (1,3-diethyl-3-methylcyclohexyl) prop-2-enoate?
(1,3-diethyl-3-methylcyclohexyl) prop-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 (1,3-diethyl-3-methylcyclohexyl) prop-2-enoate is sourced from PubChem (CID 89042692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).