1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane

C17H34O3 — CID 140606248

IUPAC1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane
SMILESCCCCOC1(C)CCCC(C)(C)C1(COC)COC
InChIInChI=1S/C17H34O3/c1-7-8-12-20-16(4)11-9-10-15(2,3)17(16,13-18-5)14-19-6/h7-14H2,1-6H3
InChIKeyRESBJUZGHBADMA-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.05
Rot. Bonds8

About 1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane

1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane (PubChem CID 140606248) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane.

Molecular Properties

Compound Name1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane
PubChem CID140606248
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane
SMILESCCCCOC1(C)CCCC(C)(C)C1(COC)COC
InChIInChI=1S/C17H34O3/c1-7-8-12-20-16(4)11-9-10-15(2,3)17(16,13-18-5)14-19-6/h7-14H2,1-6H3
InChIKeyRESBJUZGHBADMA-UHFFFAOYSA-N
XLogP4.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane?
The IUPAC name of 1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane (CID 140606248) is 1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane.
What is the SMILES notation for 1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane?
The canonical SMILES for 1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane is CCCCOC1(C)CCCC(C)(C)C1(COC)COC.
What is the InChIKey of 1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane?
The InChIKey is RESBJUZGHBADMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-7-8-12-20-16(4)11-9-10-15(2,3)17(16,13-18-5)14-19-6/h7-14H2,1-6H3.
What are the key properties of 1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane?
1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane has a molecular weight of 286.46 g/mol, XLogP of 4.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-2,2-bis(methoxymethyl)-1,3,3-trimethylcyclohexane is sourced from PubChem (CID 140606248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).