1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane

C14H27FO2 — CID 58205726

IUPAC1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane
SMILESCCOCOC1(C)CC(CC)CC(F)(CC)C1
InChIInChI=1S/C14H27FO2/c1-5-12-8-13(4,17-11-16-7-3)10-14(15,6-2)9-12/h12H,5-11H2,1-4H3
InChIKeyRMRVFXCQUQOFIK-UHFFFAOYSA-N
MW246.37 g/mol
LogP4.08
Rot. Bonds6

About 1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane

1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane (PubChem CID 58205726) has the molecular formula C14H27FO2 and a molecular weight of 246.37 g/mol. Its IUPAC name is 1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane.

Molecular Properties

Compound Name1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane
PubChem CID58205726
Molecular FormulaC14H27FO2
Molecular Weight246.37 g/mol
Exact Mass246.20
IUPAC Name1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane
SMILESCCOCOC1(C)CC(CC)CC(F)(CC)C1
InChIInChI=1S/C14H27FO2/c1-5-12-8-13(4,17-11-16-7-3)10-14(15,6-2)9-12/h12H,5-11H2,1-4H3
InChIKeyRMRVFXCQUQOFIK-UHFFFAOYSA-N
XLogP4.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.37
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-diethyl-3-fluoro-1-methylcyclohexyl)oxybicyclo[2.2.1]heptane
CID 58205774
1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane
CID 58100548
3-ethyl-1,1-difluorocyclobutane
CID 67229999
1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane
CID 58079136
1,3-diethyl-1-methylcyclobutane
CID 21053928
3-(ethoxymethyl)-3-fluorocyclobutan-1-amine
CID 112564075
ethane;3-(2-ethoxyethyl)-1,1-difluorocyclobutane
CID 144773863
2-ethylspiro[3.3]heptane
CID 123395058
(6-ethylspiro[3.3]heptan-2-yl)methanol
CID 122429211
[1-(2-ethoxyethoxy)-4-ethylcyclohexyl]methanamine
CID 62107731
3-ethyl-1-methyl-1-pentan-2-ylcyclobutane
CID 123384644
4-(ethoxymethoxy)-1-hydroxy-2,2,6,6-tetramethylpiperidine
CID 21020056

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane?
The IUPAC name of 1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane (CID 58205726) is 1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane.
What is the SMILES notation for 1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane?
The canonical SMILES for 1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane is CCOCOC1(C)CC(CC)CC(F)(CC)C1.
What is the InChIKey of 1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane?
The InChIKey is RMRVFXCQUQOFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FO2/c1-5-12-8-13(4,17-11-16-7-3)10-14(15,6-2)9-12/h12H,5-11H2,1-4H3.
What are the key properties of 1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane?
1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane has a molecular weight of 246.37 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethoxy)-3,5-diethyl-3-fluoro-1-methylcyclohexane is sourced from PubChem (CID 58205726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).