(3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane

C15H20O2 — CID 88752618

IUPAC(3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane
SMILESCCC1O[C@H]1COc1ccc(C)c2c1CCC2
InChIInChI=1S/C15H20O2/c1-3-13-15(17-13)9-16-14-8-7-10(2)11-5-4-6-12(11)14/h7-8,13,15H,3-6,9H2,1-2H3/t13?,15-/m0/s1
InChIKeyQUEXOUHYZFCFHW-WUJWULDRSA-N
MW232.32 g/mol
LogP3.04
Rot. Bonds4

About (3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane

(3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane (PubChem CID 88752618) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane.

Molecular Properties

Compound Name(3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane
PubChem CID88752618
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane
SMILESCCC1O[C@H]1COc1ccc(C)c2c1CCC2
InChIInChI=1S/C15H20O2/c1-3-13-15(17-13)9-16-14-8-7-10(2)11-5-4-6-12(11)14/h7-8,13,15H,3-6,9H2,1-2H3/t13?,15-/m0/s1
InChIKeyQUEXOUHYZFCFHW-WUJWULDRSA-N
XLogP3.04
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane 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 (3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane?
The IUPAC name of (3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane (CID 88752618) is (3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane.
What is the SMILES notation for (3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane?
The canonical SMILES for (3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane is CCC1O[C@H]1COc1ccc(C)c2c1CCC2.
What is the InChIKey of (3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane?
The InChIKey is QUEXOUHYZFCFHW-WUJWULDRSA-N. The full InChI is InChI=1S/C15H20O2/c1-3-13-15(17-13)9-16-14-8-7-10(2)11-5-4-6-12(11)14/h7-8,13,15H,3-6,9H2,1-2H3/t13?,15-/m0/s1.
What are the key properties of (3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane?
(3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane has a molecular weight of 232.32 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-ethyl-3-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxymethyl]oxirane is sourced from PubChem (CID 88752618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).