(4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate

C16H28O4 — CID 145123697

IUPAC(4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate
SMILESCCOC1CCC(OC(=O)C2CCC(OC)CC2)CC1
InChIInChI=1S/C16H28O4/c1-3-19-14-8-10-15(11-9-14)20-16(17)12-4-6-13(18-2)7-5-12/h12-15H,3-11H2,1-2H3
InChIKeyGGCWWERWTRZIAG-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.08
Rot. Bonds5

About (4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate

(4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate (PubChem CID 145123697) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is (4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate.

Molecular Properties

Compound Name(4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate
PubChem CID145123697
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name(4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate
SMILESCCOC1CCC(OC(=O)C2CCC(OC)CC2)CC1
InChIInChI=1S/C16H28O4/c1-3-19-14-8-10-15(11-9-14)20-16(17)12-4-6-13(18-2)7-5-12/h12-15H,3-11H2,1-2H3
InChIKeyGGCWWERWTRZIAG-UHFFFAOYSA-N
XLogP3.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate 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

cyclopropyl cyclopropanecarboxylate
CID 54407874
cyclohexyl 4-(2-cyclohexyloxyethoxy)cyclohexane-1-carboxylate
CID 140892358
4-(4-acetyloxycyclohexyl)oxycarbonylcyclohexane-1-carboperoxoic acid
CID 146645408
trans-ethyl (1R,3R)-3-ethoxycyclopentane-1-carboxylate
CID 125113084
trans-ethyl (1S,3S)-3-ethoxycyclopentane-1-carboxylate
CID 125113083
cyclopentyl cyclopropanecarboxylate;ethane
CID 145397481
methyl 4-[[(4S)-4-methoxypyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylate
CID 142151920
3-(4-methoxycyclohexyl)oxy-N-(3-propanoylcyclobutyl)propanamide
CID 169159546
(4-methylcyclohexyl) 4-methylcyclohexane-1-carboxylate;(4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]cyclohexane
CID 159023786
tert-butyl 4-methoxycyclohexane-1-carboxylate
CID 59780016
[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 4-methylcyclohexane-1-carboxylate
CID 20730861
[4-(cyclohexanecarbonyloxy)cyclohexyl] cyclohexanecarboxylate
CID 118132173

Frequently Asked Questions

What is the IUPAC name of (4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate?
The IUPAC name of (4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate (CID 145123697) is (4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate.
What is the SMILES notation for (4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate?
The canonical SMILES for (4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate is CCOC1CCC(OC(=O)C2CCC(OC)CC2)CC1.
What is the InChIKey of (4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate?
The InChIKey is GGCWWERWTRZIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-3-19-14-8-10-15(11-9-14)20-16(17)12-4-6-13(18-2)7-5-12/h12-15H,3-11H2,1-2H3.
What are the key properties of (4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate?
(4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxycyclohexyl) 4-methoxycyclohexane-1-carboxylate is sourced from PubChem (CID 145123697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).