1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone

C16H26O4 — CID 20593603

IUPAC1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone
SMILESCOCCOCOC12CCCC1(C(C)=O)C1CCC2C1
InChIInChI=1S/C16H26O4/c1-12(17)15-6-3-7-16(15,14-5-4-13(15)10-14)20-11-19-9-8-18-2/h13-14H,3-11H2,1-2H3
InChIKeyGVYRNPZQDSOIFO-UHFFFAOYSA-N
MW282.38 g/mol
LogP2.55
Rot. Bonds7

About 1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone

1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone (PubChem CID 20593603) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone.

Molecular Properties

Compound Name1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone
PubChem CID20593603
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone
SMILESCOCCOCOC12CCCC1(C(C)=O)C1CCC2C1
InChIInChI=1S/C16H26O4/c1-12(17)15-6-3-7-16(15,14-5-4-13(15)10-14)20-11-19-9-8-18-2/h13-14H,3-11H2,1-2H3
InChIKeyGVYRNPZQDSOIFO-UHFFFAOYSA-N
XLogP2.55
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 52.55
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'}

Analyze 1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone 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-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone?
The IUPAC name of 1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone (CID 20593603) is 1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone.
What is the SMILES notation for 1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone?
The canonical SMILES for 1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone is COCCOCOC12CCCC1(C(C)=O)C1CCC2C1.
What is the InChIKey of 1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone?
The InChIKey is GVYRNPZQDSOIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-12(17)15-6-3-7-16(15,14-5-4-13(15)10-14)20-11-19-9-8-18-2/h13-14H,3-11H2,1-2H3.
What are the key properties of 1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone?
1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone has a molecular weight of 282.38 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-methoxyethoxymethoxy)-2-tricyclo[5.2.1.02,6]decanyl]ethanone is sourced from PubChem (CID 20593603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).