4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane

C15H30O3 — CID 13257942

IUPAC4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane
SMILESCOCCOCOC1(C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30O3/c1-14(2,3)13-6-8-15(4,9-7-13)18-12-17-11-10-16-5/h13H,6-12H2,1-5H3
InChIKeyJFWRNMPSDADOBJ-UHFFFAOYSA-N
MW258.40 g/mol
LogP3.62
Rot. Bonds6

About 4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane

4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane (PubChem CID 13257942) has the molecular formula C15H30O3 and a molecular weight of 258.40 g/mol. Its IUPAC name is 4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane.

Molecular Properties

Compound Name4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane
PubChem CID13257942
Molecular FormulaC15H30O3
Molecular Weight258.40 g/mol
Exact Mass258.22
IUPAC Name4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane
SMILESCOCCOCOC1(C)CCC(C(C)(C)C)CC1
InChIInChI=1S/C15H30O3/c1-14(2,3)13-6-8-15(4,9-7-13)18-12-17-11-10-16-5/h13H,6-12H2,1-5H3
InChIKeyJFWRNMPSDADOBJ-UHFFFAOYSA-N
XLogP3.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-tert-butyl-1-methyl-1-propoxycyclohexane
CID 166671963
[4-tert-butyl-1-[3-(2-methoxyethoxy)propyl]cyclohexyl]methanol
CID 103415215
1-(bromomethyl)-4-tert-butyl-1-(2-methoxyethoxy)cyclohexane
CID 55036265
1-(1,1-difluoroethyl)-2-ethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane
CID 58079136
N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]-2-methoxyethanamine
CID 103984545
[4-tert-butyl-1-[2-(3-methoxypropoxy)ethyl]cyclohexyl]methanol
CID 103184925
bis(4-tert-butyl-1-methylcyclohexyl) carbonate
CID 135314493
N-[[4-tert-butyl-1-(3-methoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 63507372
N-[(1-butyl-4-tert-butylcyclohexyl)methyl]-2-methoxyethanamine
CID 63509628
4-tert-butyl-1-(4-methoxybutyl)cyclohexane-1-carbonitrile
CID 104650527
N-[[4-tert-butyl-1-(methoxymethyl)cyclohexyl]methyl]ethanamine
CID 113361862
1,2-diethyl-1-fluoro-4-(2-methoxyethoxymethoxy)-4-methylcyclopentane
CID 58100548

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane?
The IUPAC name of 4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane (CID 13257942) is 4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane.
What is the SMILES notation for 4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane?
The canonical SMILES for 4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane is COCCOCOC1(C)CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane?
The InChIKey is JFWRNMPSDADOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O3/c1-14(2,3)13-6-8-15(4,9-7-13)18-12-17-11-10-16-5/h13H,6-12H2,1-5H3.
What are the key properties of 4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane?
4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane has a molecular weight of 258.40 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2-methoxyethoxymethoxy)-1-methylcyclohexane is sourced from PubChem (CID 13257942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).