1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane

C18H34O2 — CID 14439038

IUPAC1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(OCCOC)CC2)CC1
InChIInChI=1S/C18H34O2/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)20-14-13-19-2/h15-18H,3-14H2,1-2H3
InChIKeyYELSORDFFWUMGU-UHFFFAOYSA-N
MW282.47 g/mol
LogP4.81
Rot. Bonds7

About 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane

1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane (PubChem CID 14439038) has the molecular formula C18H34O2 and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane.

Molecular Properties

Compound Name1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane
PubChem CID14439038
Molecular FormulaC18H34O2
Molecular Weight282.47 g/mol
Exact Mass282.26
IUPAC Name1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane
SMILESCCCC1CCC(C2CCC(OCCOC)CC2)CC1
InChIInChI=1S/C18H34O2/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)20-14-13-19-2/h15-18H,3-14H2,1-2H3
InChIKeyYELSORDFFWUMGU-UHFFFAOYSA-N
XLogP4.81
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 ≤ 54.81
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 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane?
The IUPAC name of 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane (CID 14439038) is 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane.
What is the SMILES notation for 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane?
The canonical SMILES for 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane is CCCC1CCC(C2CCC(OCCOC)CC2)CC1.
What is the InChIKey of 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane?
The InChIKey is YELSORDFFWUMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34O2/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)20-14-13-19-2/h15-18H,3-14H2,1-2H3.
What are the key properties of 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane?
1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane has a molecular weight of 282.47 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethoxy)-4-(4-propylcyclohexyl)cyclohexane is sourced from PubChem (CID 14439038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).