2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane

C14H28O — CID 45094286

IUPAC2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane
SMILESCCOC1CC(C(C)(C)CC)CCC1C
InChIInChI=1S/C14H28O/c1-6-14(4,5)12-9-8-11(3)13(10-12)15-7-2/h11-13H,6-10H2,1-5H3
InChIKeyKBWPITARTNOMOA-UHFFFAOYSA-N
MW212.38 g/mol
LogP4.26
Rot. Bonds4

About 2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane

2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane (PubChem CID 45094286) has the molecular formula C14H28O and a molecular weight of 212.38 g/mol. Its IUPAC name is 2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane.

Molecular Properties

Compound Name2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane
PubChem CID45094286
Molecular FormulaC14H28O
Molecular Weight212.38 g/mol
Exact Mass212.21
IUPAC Name2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane
SMILESCCOC1CC(C(C)(C)CC)CCC1C
InChIInChI=1S/C14H28O/c1-6-14(4,5)12-9-8-11(3)13(10-12)15-7-2/h11-13H,6-10H2,1-5H3
InChIKeyKBWPITARTNOMOA-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(2-methylbutan-2-yl)-2-(2-methylcyclohexyl)oxycyclohexyl]methanamine
CID 43428856
4-(2-methylbutan-2-yl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]cyclohexan-1-ol
CID 115942468
2-(cyclohexylmethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 63466844
2-(2-cyclobutylethoxy)-4-(2-methylbutan-2-yl)cyclohexan-1-amine
CID 106200952
[2-butoxy-4-(2-methylbutan-2-yl)cyclohexyl]methanamine
CID 43294253
1-ethyl-3-(2-methylbutan-2-yl)cyclopentane
CID 123901390
4-(2-methylbutan-2-yl)-2-prop-2-ynoxycyclohexane-1-carbonitrile
CID 43292800
2-(2-methoxyethoxy)-4-(2-methylbutan-2-yl)cyclohexane-1-carbonitrile
CID 43292505
[4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 43428833
1-tert-butyl-4-(2-methylbutan-2-yl)cyclohexane
CID 57162506
4-tert-butyl-2-ethoxycyclohexane-1-carbonitrile
CID 43292132
1-(1-iodoethoxy)-4-(2-methylbutan-2-yl)cyclohexane
CID 66790356

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane?
The IUPAC name of 2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane (CID 45094286) is 2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane.
What is the SMILES notation for 2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane?
The canonical SMILES for 2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane is CCOC1CC(C(C)(C)CC)CCC1C.
What is the InChIKey of 2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane?
The InChIKey is KBWPITARTNOMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O/c1-6-14(4,5)12-9-8-11(3)13(10-12)15-7-2/h11-13H,6-10H2,1-5H3.
What are the key properties of 2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane?
2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane has a molecular weight of 212.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-methyl-4-(2-methylbutan-2-yl)cyclohexane is sourced from PubChem (CID 45094286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).