(3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine

C10H18O4 — CID 25129100

IUPAC(3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine
SMILESCOCCOCO[C@@H]1CC=CCOC1
InChIInChI=1S/C10H18O4/c1-11-6-7-13-9-14-10-4-2-3-5-12-8-10/h2-3,10H,4-9H2,1H3/t10-/m1/s1
InChIKeyHDSBQZNDTKTIBF-SNVBAGLBSA-N
MW202.25 g/mol
LogP0.97
Rot. Bonds6

About (3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine

(3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine (PubChem CID 25129100) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine.

Molecular Properties

Compound Name(3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine
PubChem CID25129100
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine
SMILESCOCCOCO[C@@H]1CC=CCOC1
InChIInChI=1S/C10H18O4/c1-11-6-7-13-9-14-10-4-2-3-5-12-8-10/h2-3,10H,4-9H2,1H3/t10-/m1/s1
InChIKeyHDSBQZNDTKTIBF-SNVBAGLBSA-N
XLogP0.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.97
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine 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 (3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine?
The IUPAC name of (3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine (CID 25129100) is (3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine.
What is the SMILES notation for (3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine?
The canonical SMILES for (3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine is COCCOCO[C@@H]1CC=CCOC1.
What is the InChIKey of (3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine?
The InChIKey is HDSBQZNDTKTIBF-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18O4/c1-11-6-7-13-9-14-10-4-2-3-5-12-8-10/h2-3,10H,4-9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine?
(3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine has a molecular weight of 202.25 g/mol, XLogP of 0.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-methoxyethoxymethoxy)-2,3,4,7-tetrahydrooxepine is sourced from PubChem (CID 25129100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).