(3,4-diethoxycyclohexyl) 2-methylprop-2-enoate

C14H24O4 — CID 174980293

IUPAC(3,4-diethoxycyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(OCC)C(OCC)C1
InChIInChI=1S/C14H24O4/c1-5-16-12-8-7-11(9-13(12)17-6-2)18-14(15)10(3)4/h11-13H,3,5-9H2,1-2,4H3
InChIKeyXUZFRMIRVOTWQA-UHFFFAOYSA-N
MW256.34 g/mol
LogP2.47
Rot. Bonds6

About (3,4-diethoxycyclohexyl) 2-methylprop-2-enoate

(3,4-diethoxycyclohexyl) 2-methylprop-2-enoate (PubChem CID 174980293) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is (3,4-diethoxycyclohexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(3,4-diethoxycyclohexyl) 2-methylprop-2-enoate
PubChem CID174980293
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name(3,4-diethoxycyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(OCC)C(OCC)C1
InChIInChI=1S/C14H24O4/c1-5-16-12-8-7-11(9-13(12)17-6-2)18-14(15)10(3)4/h11-13H,3,5-9H2,1-2,4H3
InChIKeyXUZFRMIRVOTWQA-UHFFFAOYSA-N
XLogP2.47
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3,4-diethoxycyclohexyl) 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
(4-ethylcyclohexyl) 2-methylprop-2-enoate
CID 22250722
8-azabicyclo[3.2.1]octan-3-yl 2-methylprop-2-enoate
CID 164845118
(4-butylcyclohexyl) 2-methylprop-2-enoate
CID 19083728
[(1S,3R,4S)-3,4-diacetyloxycyclohexyl] acetate
CID 12026264
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
(3-decylcyclohexyl) 2-methylprop-2-enoate
CID 141237299
(4-nonylcyclohexyl) 2-methylprop-2-enoate
CID 141237341
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
[3-(methanesulfonamido)cyclopentyl] 2-methylprop-2-enoate
CID 58980511

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxycyclohexyl) 2-methylprop-2-enoate?
The IUPAC name of (3,4-diethoxycyclohexyl) 2-methylprop-2-enoate (CID 174980293) is (3,4-diethoxycyclohexyl) 2-methylprop-2-enoate.
What is the SMILES notation for (3,4-diethoxycyclohexyl) 2-methylprop-2-enoate?
The canonical SMILES for (3,4-diethoxycyclohexyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(OCC)C(OCC)C1.
What is the InChIKey of (3,4-diethoxycyclohexyl) 2-methylprop-2-enoate?
The InChIKey is XUZFRMIRVOTWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O4/c1-5-16-12-8-7-11(9-13(12)17-6-2)18-14(15)10(3)4/h11-13H,3,5-9H2,1-2,4H3.
What are the key properties of (3,4-diethoxycyclohexyl) 2-methylprop-2-enoate?
(3,4-diethoxycyclohexyl) 2-methylprop-2-enoate has a molecular weight of 256.34 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxycyclohexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 174980293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).