1-methoxyethoxymethylcyclohexane

C10H20O2 — CID 21363341

IUPAC1-methoxyethoxymethylcyclohexane
SMILESCOC(C)OCC1CCCCC1
InChIInChI=1S/C10H20O2/c1-9(11-2)12-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyUEGGCTJOVCPDEV-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.58
Rot. Bonds4

About 1-methoxyethoxymethylcyclohexane

1-methoxyethoxymethylcyclohexane (PubChem CID 21363341) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-methoxyethoxymethylcyclohexane.

Molecular Properties

Compound Name1-methoxyethoxymethylcyclohexane
PubChem CID21363341
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-methoxyethoxymethylcyclohexane
SMILESCOC(C)OCC1CCCCC1
InChIInChI=1S/C10H20O2/c1-9(11-2)12-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
InChIKeyUEGGCTJOVCPDEV-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Octane, 1,1-dimethoxy-3,7-dimethyl-
CID 109187
1,1-Diethoxyisooctane
CID 112252
3-(Dimethoxymethyl)heptane
CID 85702
5-Hexyl-2-methyl-1,3-dioxane
CID 31465
2-(2-Methylhexyl)-1,3-dioxolane
CID 11970893
2-Cyclohexyl-1,3-dioxolane
CID 292653
5-Hexyl-2-(1-methylethyl)-1,3-dioxane
CID 31466
1,4-Dioxaspiro(4.5)decane-3-methanol, 6-methyl-
CID 45280
Isononane, 1,1-diethoxy-
CID 106158
1,1'-(Isobutylidenebis(oxy))bis(2-ethylhexane)
CID 89243
(Trimethoxymethyl)cyclohexane
CID 6950209
cis-2-Methyl-butyl-1,3-dioxane
CID 142339

Frequently Asked Questions

What is the IUPAC name of 1-methoxyethoxymethylcyclohexane?
The IUPAC name of 1-methoxyethoxymethylcyclohexane (CID 21363341) is 1-methoxyethoxymethylcyclohexane.
What is the SMILES notation for 1-methoxyethoxymethylcyclohexane?
The canonical SMILES for 1-methoxyethoxymethylcyclohexane is COC(C)OCC1CCCCC1.
What is the InChIKey of 1-methoxyethoxymethylcyclohexane?
The InChIKey is UEGGCTJOVCPDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-9(11-2)12-8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3.
What are the key properties of 1-methoxyethoxymethylcyclohexane?
1-methoxyethoxymethylcyclohexane has a molecular weight of 172.27 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethoxymethylcyclohexane is sourced from PubChem (CID 21363341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).