1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane

C17H34O3 — CID 140997941

IUPAC1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane
SMILESCCCCCCC1CCCC(OC)C1(COCC)OC
InChIInChI=1S/C17H34O3/c1-5-7-8-9-11-15-12-10-13-16(18-3)17(15,19-4)14-20-6-2/h15-16H,5-14H2,1-4H3
InChIKeyUIVNSJYWWITCAA-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.19
Rot. Bonds10

About 1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane

1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane (PubChem CID 140997941) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane.

Molecular Properties

Compound Name1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane
PubChem CID140997941
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane
SMILESCCCCCCC1CCCC(OC)C1(COCC)OC
InChIInChI=1S/C17H34O3/c1-5-7-8-9-11-15-12-10-13-16(18-3)17(15,19-4)14-20-6-2/h15-16H,5-14H2,1-4H3
InChIKeyUIVNSJYWWITCAA-UHFFFAOYSA-N
XLogP4.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane?
The IUPAC name of 1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane (CID 140997941) is 1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane.
What is the SMILES notation for 1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane?
The canonical SMILES for 1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane is CCCCCCC1CCCC(OC)C1(COCC)OC.
What is the InChIKey of 1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane?
The InChIKey is UIVNSJYWWITCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-5-7-8-9-11-15-12-10-13-16(18-3)17(15,19-4)14-20-6-2/h15-16H,5-14H2,1-4H3.
What are the key properties of 1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane?
1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane has a molecular weight of 286.46 g/mol, XLogP of 4.19, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-2-hexyl-1,6-dimethoxycyclohexane is sourced from PubChem (CID 140997941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).