2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane

C14H28O3 — CID 13114598

IUPAC2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane
SMILESCOCCOCOC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H28O3/c1-11(2)13-6-5-12(3)9-14(13)17-10-16-8-7-15-4/h11-14H,5-10H2,1-4H3
InChIKeyUZYNIRFUMYRRDV-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.08
Rot. Bonds7

About 2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane

2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane (PubChem CID 13114598) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane
PubChem CID13114598
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane
SMILESCOCCOCOC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H28O3/c1-11(2)13-6-5-12(3)9-14(13)17-10-16-8-7-15-4/h11-14H,5-10H2,1-4H3
InChIKeyUZYNIRFUMYRRDV-UHFFFAOYSA-N
XLogP3.08
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.08
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

Carbonic acid, 2-hydroxypropyl (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
CID 57509244
Carbonic acid, 2-hydroxyethyl 5-methyl-2-(1-methylethyl)cyclohexyl ester
CID 9837728
Menthol propylene glycol carbonate
CID 10199055
Menthyl ethylene glycol carbonate, (-)-
CID 189860
Carbonic acid, ethyl 2,3,6-trimethylcyclohexyl ester
CID 163620
[(2R)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
CID 73415945
[(2S)-2-hydroxypropyl] [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonate
CID 73415946
2,9-Dimethyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decane
CID 118113
Ethyl menthyl carbonate
CID 3084601
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyoxane
CID 10879776
9-Methyl-6-(propan-2-yl)-1,4-dioxaspiro[4.5]decane
CID 13113306
Ethyl l-Menthyl Carbonate
CID 18366282

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane (CID 13114598) is 2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane is COCCOCOC1CC(C)CCC1C(C)C.
What is the InChIKey of 2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane?
The InChIKey is UZYNIRFUMYRRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-11(2)13-6-5-12(3)9-14(13)17-10-16-8-7-15-4/h11-14H,5-10H2,1-4H3.
What are the key properties of 2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane?
2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane has a molecular weight of 244.37 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxymethoxy)-4-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 13114598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).