1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane

C17H34O4 — CID 58030571

IUPAC1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane
SMILESCOCCCCOCOCC1CCC(COC(C)C)CC1
InChIInChI=1S/C17H34O4/c1-15(2)21-13-17-8-6-16(7-9-17)12-20-14-19-11-5-4-10-18-3/h15-17H,4-14H2,1-3H3
InChIKeyNOGLVOZGOYZUGL-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.64
Rot. Bonds12

About 1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane

1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane (PubChem CID 58030571) has the molecular formula C17H34O4 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane.

Molecular Properties

Compound Name1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane
PubChem CID58030571
Molecular FormulaC17H34O4
Molecular Weight302.46 g/mol
Exact Mass302.25
IUPAC Name1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane
SMILESCOCCCCOCOCC1CCC(COC(C)C)CC1
InChIInChI=1S/C17H34O4/c1-15(2)21-13-17-8-6-16(7-9-17)12-20-14-19-11-5-4-10-18-3/h15-17H,4-14H2,1-3H3
InChIKeyNOGLVOZGOYZUGL-UHFFFAOYSA-N
XLogP3.64
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane?
The IUPAC name of 1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane (CID 58030571) is 1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane.
What is the SMILES notation for 1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane?
The canonical SMILES for 1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane is COCCCCOCOCC1CCC(COC(C)C)CC1.
What is the InChIKey of 1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane?
The InChIKey is NOGLVOZGOYZUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O4/c1-15(2)21-13-17-8-6-16(7-9-17)12-20-14-19-11-5-4-10-18-3/h15-17H,4-14H2,1-3H3.
What are the key properties of 1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane?
1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane has a molecular weight of 302.46 g/mol, XLogP of 3.64, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutoxymethoxymethyl)-4-(propan-2-yloxymethyl)cyclohexane is sourced from PubChem (CID 58030571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).