3-ethyl-1,1-dimethoxycyclohexane

C10H20O2 — CID 100962146

IUPAC3-ethyl-1,1-dimethoxycyclohexane
SMILESCCC1CCCC(OC)(OC)C1
InChIInChI=1S/C10H20O2/c1-4-9-6-5-7-10(8-9,11-2)12-3/h9H,4-8H2,1-3H3
InChIKeyNHDIUVBEZXLNKT-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.58
Rot. Bonds3

About 3-ethyl-1,1-dimethoxycyclohexane

3-ethyl-1,1-dimethoxycyclohexane (PubChem CID 100962146) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 3-ethyl-1,1-dimethoxycyclohexane.

Molecular Properties

Compound Name3-ethyl-1,1-dimethoxycyclohexane
PubChem CID100962146
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name3-ethyl-1,1-dimethoxycyclohexane
SMILESCCC1CCCC(OC)(OC)C1
InChIInChI=1S/C10H20O2/c1-4-9-6-5-7-10(8-9,11-2)12-3/h9H,4-8H2,1-3H3
InChIKeyNHDIUVBEZXLNKT-UHFFFAOYSA-N
XLogP2.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

(Trimethoxymethyl)cyclohexane
CID 6950209
Cyclohexane, 3-(1,1-dimethoxyethyl)-1,1-dimethyl-
CID 14817847
2-Methylcyclohexanone dimethyl acetal
CID 10374699
Cyclohexylacetaldehyde dimethyl acetal
CID 11052116
1,1-Dimethoxy-4-methylcyclohexane
CID 11805038
1,1-Dimethoxy-3-methylcyclohexane
CID 13240797
4-Ethylcyclohexanone dimethyl acetal
CID 15185624
4-Isopropylcyclohexanone dimethyl acetal
CID 15185625
2-Ethylcyclohexanone dimethyl acetal
CID 100962144
2,6-Dimethylcyclohexanone dimethyl acetal
CID 129777340
[Fluoro(dimethoxy)methyl]cyclohexane
CID 68448808
3,3,5-Trimethyl-cylcohexanone-dimethylacetal
CID 10997755

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,1-dimethoxycyclohexane?
The IUPAC name of 3-ethyl-1,1-dimethoxycyclohexane (CID 100962146) is 3-ethyl-1,1-dimethoxycyclohexane.
What is the SMILES notation for 3-ethyl-1,1-dimethoxycyclohexane?
The canonical SMILES for 3-ethyl-1,1-dimethoxycyclohexane is CCC1CCCC(OC)(OC)C1.
What is the InChIKey of 3-ethyl-1,1-dimethoxycyclohexane?
The InChIKey is NHDIUVBEZXLNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-9-6-5-7-10(8-9,11-2)12-3/h9H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-1,1-dimethoxycyclohexane?
3-ethyl-1,1-dimethoxycyclohexane has a molecular weight of 172.27 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1-dimethoxycyclohexane is sourced from PubChem (CID 100962146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).