1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane

C13H26O2 — CID 134545035

IUPAC1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane
SMILESCCOCCC1CCC(COCC)CC1
InChIInChI=1S/C13H26O2/c1-3-14-10-9-12-5-7-13(8-6-12)11-15-4-2/h12-13H,3-11H2,1-2H3
InChIKeyFMZBYVGIVDTUOZ-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.26
Rot. Bonds7

About 1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane

1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane (PubChem CID 134545035) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane
PubChem CID134545035
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane
SMILESCCOCCC1CCC(COCC)CC1
InChIInChI=1S/C13H26O2/c1-3-14-10-9-12-5-7-13(8-6-12)11-15-4-2/h12-13H,3-11H2,1-2H3
InChIKeyFMZBYVGIVDTUOZ-UHFFFAOYSA-N
XLogP3.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(ethoxymethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 19850412
1-butyl-4-[2-[4-(2-ethoxyethoxymethyl)cyclohexyl]ethyl]cyclohexane
CID 67843719
ethoxymethylcyclooctane
CID 70370569
3-(2-ethoxyethyl)oxetane
CID 67567831
3-[[4-(ethoxymethyl)cyclohexyl]methoxy]propanamide
CID 167464642
ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane
CID 144773863
ethane;ethoxymethylcyclohexane;methylcyclohexane
CID 158421123
cyclopropylmethoxymethylcyclopropane;hydron
CID 175036707
[4-(2-ethylperoxyethyl)cyclohexyl]methoxymethylbenzene
CID 89289517
4-(2-cyclopropylethoxy)-N-ethylbutan-2-amine
CID 106200792
3-(ethoxymethyl)-7-oxabicyclo[4.1.0]heptane
CID 23517822
1-tert-butyl-4-(propoxymethyl)cyclohexane
CID 123879398

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane?
The IUPAC name of 1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane (CID 134545035) is 1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane.
What is the SMILES notation for 1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane?
The canonical SMILES for 1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane is CCOCCC1CCC(COCC)CC1.
What is the InChIKey of 1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane?
The InChIKey is FMZBYVGIVDTUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-3-14-10-9-12-5-7-13(8-6-12)11-15-4-2/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane?
1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane has a molecular weight of 214.35 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-4-(ethoxymethyl)cyclohexane is sourced from PubChem (CID 134545035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).