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

C18H34O2 — CID 58620552

IUPAC5-ethoxy-2-(4-pentylcyclohexyl)oxane
SMILESCCCCCC1CCC(C2CCC(OCC)CO2)CC1
InChIInChI=1S/C18H34O2/c1-3-5-6-7-15-8-10-16(11-9-15)18-13-12-17(14-20-18)19-4-2/h15-18H,3-14H2,1-2H3
InChIKeyLDQPOQOZDQSNJD-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.96
Rot. Bonds7

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

5-ethoxy-2-(4-pentylcyclohexyl)oxane (PubChem CID 58620552) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 5-ethoxy-2-(4-pentylcyclohexyl)oxane.

Molecular Properties

Compound Name5-ethoxy-2-(4-pentylcyclohexyl)oxane
PubChem CID58620552
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name5-ethoxy-2-(4-pentylcyclohexyl)oxane
SMILESCCCCCC1CCC(C2CCC(OCC)CO2)CC1
InChIInChI=1S/C18H34O2/c1-3-5-6-7-15-8-10-16(11-9-15)18-13-12-17(14-20-18)19-4-2/h15-18H,3-14H2,1-2H3
InChIKeyLDQPOQOZDQSNJD-UHFFFAOYSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 54.96
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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Related Compounds

5-[(2,3-difluoro-4-methoxycyclohexa-1,3-dien-1-yl)methoxy]-2-(4-pentylcyclohexyl)oxane;propane
CID 143889638
[4-(5-pentyloxan-2-yl)cyclohexyl] 3-hydroxy-2,2-dimethylpropanoate
CID 166645711
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
2-(4-methoxycyclohexyl)-5-[2-(4-propylcyclohexyl)ethyl]oxane
CID 58620720
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-(4-pentylcyclohexyl)oxane?
The IUPAC name of 5-ethoxy-2-(4-pentylcyclohexyl)oxane (CID 58620552) is 5-ethoxy-2-(4-pentylcyclohexyl)oxane.
What is the SMILES notation for 5-ethoxy-2-(4-pentylcyclohexyl)oxane?
The canonical SMILES for 5-ethoxy-2-(4-pentylcyclohexyl)oxane is CCCCCC1CCC(C2CCC(OCC)CO2)CC1.
What is the InChIKey of 5-ethoxy-2-(4-pentylcyclohexyl)oxane?
The InChIKey is LDQPOQOZDQSNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-5-6-7-15-8-10-16(11-9-15)18-13-12-17(14-20-18)19-4-2/h15-18H,3-14H2,1-2H3.
What are the key properties of 5-ethoxy-2-(4-pentylcyclohexyl)oxane?
5-ethoxy-2-(4-pentylcyclohexyl)oxane has a molecular weight of 282.47 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-(4-pentylcyclohexyl)oxane is sourced from PubChem (CID 58620552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).