1-ethyl-3,5-dimethoxycyclohexane

C10H20O2 — CID 20726910

IUPAC1-ethyl-3,5-dimethoxycyclohexane
SMILESCCC1CC(OC)CC(OC)C1
InChIInChI=1S/C10H20O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h8-10H,4-7H2,1-3H3
InChIKeyNEOZDZRCRSSJIL-UHFFFAOYSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds3

About 1-ethyl-3,5-dimethoxycyclohexane

1-ethyl-3,5-dimethoxycyclohexane (PubChem CID 20726910) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is 1-ethyl-3,5-dimethoxycyclohexane.

Molecular Properties

Compound Name1-ethyl-3,5-dimethoxycyclohexane
PubChem CID20726910
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name1-ethyl-3,5-dimethoxycyclohexane
SMILESCCC1CC(OC)CC(OC)C1
InChIInChI=1S/C10H20O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h8-10H,4-7H2,1-3H3
InChIKeyNEOZDZRCRSSJIL-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,5-dimethoxycyclohexane?
The IUPAC name of 1-ethyl-3,5-dimethoxycyclohexane (CID 20726910) is 1-ethyl-3,5-dimethoxycyclohexane.
What is the SMILES notation for 1-ethyl-3,5-dimethoxycyclohexane?
The canonical SMILES for 1-ethyl-3,5-dimethoxycyclohexane is CCC1CC(OC)CC(OC)C1.
What is the InChIKey of 1-ethyl-3,5-dimethoxycyclohexane?
The InChIKey is NEOZDZRCRSSJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-8-5-9(11-2)7-10(6-8)12-3/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-3,5-dimethoxycyclohexane?
1-ethyl-3,5-dimethoxycyclohexane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,5-dimethoxycyclohexane is sourced from PubChem (CID 20726910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).