2,2-dimethoxyethoxycyclohexane

C10H20O3 — CID 3020470

IUPAC2,2-dimethoxyethoxycyclohexane
SMILESCOC(COC1CCCCC1)OC
InChIInChI=1S/C10H20O3/c1-11-10(12-2)8-13-9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3
InChIKeyCNBQYSJVWUILKY-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.95
Rot. Bonds5

About 2,2-dimethoxyethoxycyclohexane

2,2-dimethoxyethoxycyclohexane (PubChem CID 3020470) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2,2-dimethoxyethoxycyclohexane.

Molecular Properties

Compound Name2,2-dimethoxyethoxycyclohexane
PubChem CID3020470
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name2,2-dimethoxyethoxycyclohexane
SMILESCOC(COC1CCCCC1)OC
InChIInChI=1S/C10H20O3/c1-11-10(12-2)8-13-9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3
InChIKeyCNBQYSJVWUILKY-UHFFFAOYSA-N
XLogP1.95
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxyethoxycyclohexane?
The IUPAC name of 2,2-dimethoxyethoxycyclohexane (CID 3020470) is 2,2-dimethoxyethoxycyclohexane.
What is the SMILES notation for 2,2-dimethoxyethoxycyclohexane?
The canonical SMILES for 2,2-dimethoxyethoxycyclohexane is COC(COC1CCCCC1)OC.
What is the InChIKey of 2,2-dimethoxyethoxycyclohexane?
The InChIKey is CNBQYSJVWUILKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-11-10(12-2)8-13-9-6-4-3-5-7-9/h9-10H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethoxyethoxycyclohexane?
2,2-dimethoxyethoxycyclohexane has a molecular weight of 188.27 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxyethoxycyclohexane is sourced from PubChem (CID 3020470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).