diethoxymethylcyclohexane

C11H22O2 — CID 10943197

IUPACdiethoxymethylcyclohexane
SMILESCCOC(OCC)C1CCCCC1
InChIInChI=1S/C11H22O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h10-11H,3-9H2,1-2H3
InChIKeyAQWRIVDSJKJUER-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.97
Rot. Bonds5

About diethoxymethylcyclohexane

diethoxymethylcyclohexane (PubChem CID 10943197) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is diethoxymethylcyclohexane.

Molecular Properties

Compound Namediethoxymethylcyclohexane
PubChem CID10943197
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Namediethoxymethylcyclohexane
SMILESCCOC(OCC)C1CCCCC1
InChIInChI=1S/C11H22O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h10-11H,3-9H2,1-2H3
InChIKeyAQWRIVDSJKJUER-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.97
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 diethoxymethylcyclohexane?
The IUPAC name of diethoxymethylcyclohexane (CID 10943197) is diethoxymethylcyclohexane.
What is the SMILES notation for diethoxymethylcyclohexane?
The canonical SMILES for diethoxymethylcyclohexane is CCOC(OCC)C1CCCCC1.
What is the InChIKey of diethoxymethylcyclohexane?
The InChIKey is AQWRIVDSJKJUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h10-11H,3-9H2,1-2H3.
What are the key properties of diethoxymethylcyclohexane?
diethoxymethylcyclohexane has a molecular weight of 186.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethylcyclohexane is sourced from PubChem (CID 10943197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).