4-ethyl-1,1-dimethoxycyclohexane

C10H20O2 — CID 15185624

IUPAC4-ethyl-1,1-dimethoxycyclohexane
SMILESCCC1CCC(OC)(OC)CC1
InChIInChI=1S/C10H20O2/c1-4-9-5-7-10(11-2,12-3)8-6-9/h9H,4-8H2,1-3H3
InChIKeyCEYPIENHEFJGDR-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.58
Rot. Bonds3

About 4-ethyl-1,1-dimethoxycyclohexane

4-ethyl-1,1-dimethoxycyclohexane (PubChem CID 15185624) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 4-ethyl-1,1-dimethoxycyclohexane.

Molecular Properties

Compound Name4-ethyl-1,1-dimethoxycyclohexane
PubChem CID15185624
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name4-ethyl-1,1-dimethoxycyclohexane
SMILESCCC1CCC(OC)(OC)CC1
InChIInChI=1S/C10H20O2/c1-4-9-5-7-10(11-2,12-3)8-6-9/h9H,4-8H2,1-3H3
InChIKeyCEYPIENHEFJGDR-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

4-Tert-butyl-1,1-dimethoxycyclohexane
CID 10921547
(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-Isopropylcyclohexanone dimethyl acetal
CID 15185625
3,3-Dimethoxy-2-methyloctane
CID 85666791
2-Ethylcyclohexanone dimethyl acetal
CID 100962144
2,6-Dimethylcyclohexanone dimethyl acetal
CID 129777340
Cyclohexane, 4-(fluoromethyl)-1,1-dimethoxy-
CID 45098183

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1-dimethoxycyclohexane?
The IUPAC name of 4-ethyl-1,1-dimethoxycyclohexane (CID 15185624) is 4-ethyl-1,1-dimethoxycyclohexane.
What is the SMILES notation for 4-ethyl-1,1-dimethoxycyclohexane?
The canonical SMILES for 4-ethyl-1,1-dimethoxycyclohexane is CCC1CCC(OC)(OC)CC1.
What is the InChIKey of 4-ethyl-1,1-dimethoxycyclohexane?
The InChIKey is CEYPIENHEFJGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-9-5-7-10(11-2,12-3)8-6-9/h9H,4-8H2,1-3H3.
What are the key properties of 4-ethyl-1,1-dimethoxycyclohexane?
4-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 4-ethyl-1,1-dimethoxycyclohexane is sourced from PubChem (CID 15185624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).