2,2-diethoxyethylcyclohexane

C12H24O2 — CID 13163948

IUPAC2,2-diethoxyethylcyclohexane
SMILESCCOC(CC1CCCCC1)OCC
InChIInChI=1S/C12H24O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3
InChIKeyAJMNYOKQNDNXEE-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.36
Rot. Bonds6

About 2,2-diethoxyethylcyclohexane

2,2-diethoxyethylcyclohexane (PubChem CID 13163948) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 2,2-diethoxyethylcyclohexane.

Molecular Properties

Compound Name2,2-diethoxyethylcyclohexane
PubChem CID13163948
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name2,2-diethoxyethylcyclohexane
SMILESCCOC(CC1CCCCC1)OCC
InChIInChI=1S/C12H24O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3
InChIKeyAJMNYOKQNDNXEE-UHFFFAOYSA-N
XLogP3.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.36
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

2-Methylundecanal dimethyl acetal
CID 109183
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-Cyclohexyl-1,3-dioxolane
CID 292653
Undecane, 1,1-diethoxy-2-methyl-
CID 106788
5-Hexyl-2-(1-methylethyl)-1,3-dioxane
CID 31466
Isononane, 1,1-diethoxy-
CID 106158
1,1'-(Isobutylidenebis(oxy))bis(2-ethylhexane)
CID 89243
(Trimethoxymethyl)cyclohexane
CID 6950209
2-(2-Cyclohexylethyl)-1,3-dioxolane
CID 910866

Frequently Asked Questions

What is the IUPAC name of 2,2-diethoxyethylcyclohexane?
The IUPAC name of 2,2-diethoxyethylcyclohexane (CID 13163948) is 2,2-diethoxyethylcyclohexane.
What is the SMILES notation for 2,2-diethoxyethylcyclohexane?
The canonical SMILES for 2,2-diethoxyethylcyclohexane is CCOC(CC1CCCCC1)OCC.
What is the InChIKey of 2,2-diethoxyethylcyclohexane?
The InChIKey is AJMNYOKQNDNXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h11-12H,3-10H2,1-2H3.
What are the key properties of 2,2-diethoxyethylcyclohexane?
2,2-diethoxyethylcyclohexane has a molecular weight of 200.32 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethoxyethylcyclohexane is sourced from PubChem (CID 13163948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).