4-(1-methoxyethoxy)butylcyclohexane

C13H26O2 — CID 21363364

IUPAC4-(1-methoxyethoxy)butylcyclohexane
SMILESCOC(C)OCCCCC1CCCCC1
InChIInChI=1S/C13H26O2/c1-12(14-2)15-11-7-6-10-13-8-4-3-5-9-13/h12-13H,3-11H2,1-2H3
InChIKeyWJYPNPQFSKTVSW-UHFFFAOYSA-N
MW214.35 g/mol
LogP3.75
Rot. Bonds7

About 4-(1-methoxyethoxy)butylcyclohexane

4-(1-methoxyethoxy)butylcyclohexane (PubChem CID 21363364) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is 4-(1-methoxyethoxy)butylcyclohexane.

Molecular Properties

Compound Name4-(1-methoxyethoxy)butylcyclohexane
PubChem CID21363364
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name4-(1-methoxyethoxy)butylcyclohexane
SMILESCOC(C)OCCCCC1CCCCC1
InChIInChI=1S/C13H26O2/c1-12(14-2)15-11-7-6-10-13-8-4-3-5-9-13/h12-13H,3-11H2,1-2H3
InChIKeyWJYPNPQFSKTVSW-UHFFFAOYSA-N
XLogP3.75
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methoxyethoxy)butylcyclohexane?
The IUPAC name of 4-(1-methoxyethoxy)butylcyclohexane (CID 21363364) is 4-(1-methoxyethoxy)butylcyclohexane.
What is the SMILES notation for 4-(1-methoxyethoxy)butylcyclohexane?
The canonical SMILES for 4-(1-methoxyethoxy)butylcyclohexane is COC(C)OCCCCC1CCCCC1.
What is the InChIKey of 4-(1-methoxyethoxy)butylcyclohexane?
The InChIKey is WJYPNPQFSKTVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O2/c1-12(14-2)15-11-7-6-10-13-8-4-3-5-9-13/h12-13H,3-11H2,1-2H3.
What are the key properties of 4-(1-methoxyethoxy)butylcyclohexane?
4-(1-methoxyethoxy)butylcyclohexane has a molecular weight of 214.35 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methoxyethoxy)butylcyclohexane is sourced from PubChem (CID 21363364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).