2-ethoxy-5-(4-pentylcyclohexyl)oxane

C18H34O2 — CID 58620544

IUPAC2-ethoxy-5-(4-pentylcyclohexyl)oxane
SMILESCCCCCC1CCC(C2CCC(OCC)OC2)CC1
InChIInChI=1S/C18H34O2/c1-3-5-6-7-15-8-10-16(11-9-15)17-12-13-18(19-4-2)20-14-17/h15-18H,3-14H2,1-2H3
InChIKeyJSXPZYRATQIHPU-UHFFFAOYSA-N
MW282.47 g/mol
LogP5.16
Rot. Bonds7

About 2-ethoxy-5-(4-pentylcyclohexyl)oxane

2-ethoxy-5-(4-pentylcyclohexyl)oxane (PubChem CID 58620544) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 2-ethoxy-5-(4-pentylcyclohexyl)oxane.

Molecular Properties

Compound Name2-ethoxy-5-(4-pentylcyclohexyl)oxane
PubChem CID58620544
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name2-ethoxy-5-(4-pentylcyclohexyl)oxane
SMILESCCCCCC1CCC(C2CCC(OCC)OC2)CC1
InChIInChI=1S/C18H34O2/c1-3-5-6-7-15-8-10-16(11-9-15)17-12-13-18(19-4-2)20-14-17/h15-18H,3-14H2,1-2H3
InChIKeyJSXPZYRATQIHPU-UHFFFAOYSA-N
XLogP5.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-(4-pentylcyclohexyl)oxane?
The IUPAC name of 2-ethoxy-5-(4-pentylcyclohexyl)oxane (CID 58620544) is 2-ethoxy-5-(4-pentylcyclohexyl)oxane.
What is the SMILES notation for 2-ethoxy-5-(4-pentylcyclohexyl)oxane?
The canonical SMILES for 2-ethoxy-5-(4-pentylcyclohexyl)oxane is CCCCCC1CCC(C2CCC(OCC)OC2)CC1.
What is the InChIKey of 2-ethoxy-5-(4-pentylcyclohexyl)oxane?
The InChIKey is JSXPZYRATQIHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-5-6-7-15-8-10-16(11-9-15)17-12-13-18(19-4-2)20-14-17/h15-18H,3-14H2,1-2H3.
What are the key properties of 2-ethoxy-5-(4-pentylcyclohexyl)oxane?
2-ethoxy-5-(4-pentylcyclohexyl)oxane has a molecular weight of 282.47 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-(4-pentylcyclohexyl)oxane is sourced from PubChem (CID 58620544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).