2-(3-methoxybutyl)-2,3-dimethyloxirane

C9H18O2 — CID 13215879

IUPAC2-(3-methoxybutyl)-2,3-dimethyloxirane
SMILESCOC(C)CCC1(C)OC1C
InChIInChI=1S/C9H18O2/c1-7(10-4)5-6-9(3)8(2)11-9/h7-8H,5-6H2,1-4H3
InChIKeyYHXFQYSMNCFNHJ-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds4

About 2-(3-methoxybutyl)-2,3-dimethyloxirane

2-(3-methoxybutyl)-2,3-dimethyloxirane (PubChem CID 13215879) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(3-methoxybutyl)-2,3-dimethyloxirane.

Molecular Properties

Compound Name2-(3-methoxybutyl)-2,3-dimethyloxirane
PubChem CID13215879
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(3-methoxybutyl)-2,3-dimethyloxirane
SMILESCOC(C)CCC1(C)OC1C
InChIInChI=1S/C9H18O2/c1-7(10-4)5-6-9(3)8(2)11-9/h7-8H,5-6H2,1-4H3
InChIKeyYHXFQYSMNCFNHJ-UHFFFAOYSA-N
XLogP1.98
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-methoxybutyl)-2,3-dimethyloxirane with MolForge

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

Launch Full Analysis

Related Compounds

Diglycidylather
CID 129634599
2-(3-Methoxybutyl)-3-methyloxirane
CID 88560295
2-[2-(Propoxymethyl)butyl]oxirane
CID 173510712
(2S)-4-[(2R)-2,3-dimethyloxiran-2-yl]butan-2-ol
CID 134945501
2-(3-Ethoxypentyl)-3-ethyl-2-(propan-2-yl)oxirane
CID 13215874
2,2-Dimethyl-3-[2-(2-methyloxiran-2-yl)ethyl]oxirane
CID 12608700
2-[2-Methyl-2-[2-methyl-1,3-bis(oxiran-2-yl)propan-2-yl]oxy-3-(oxiran-2-yl)propyl]oxirane
CID 19349567
2-[3-Methyl-3-[2-methyl-4-(oxiran-2-yl)butan-2-yl]oxybutyl]oxirane
CID 22495465
2-Methyl-3-[3-[(2-methylpropan-2-yl)oxy]propyl]oxirane
CID 22768316
1-Butoxy-5-methyl-5-propan-2-yloxyheptane
CID 54536815
2,2-Dimethyl-3-[3-(3-methyl-3-propyloxiran-2-yl)propyl]oxirane
CID 57119050
(2R)-2-[3-methyl-3-[2-methyl-4-[(2R)-oxiran-2-yl]butan-2-yl]oxybutyl]oxirane
CID 87603076

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxybutyl)-2,3-dimethyloxirane?
The IUPAC name of 2-(3-methoxybutyl)-2,3-dimethyloxirane (CID 13215879) is 2-(3-methoxybutyl)-2,3-dimethyloxirane.
What is the SMILES notation for 2-(3-methoxybutyl)-2,3-dimethyloxirane?
The canonical SMILES for 2-(3-methoxybutyl)-2,3-dimethyloxirane is COC(C)CCC1(C)OC1C.
What is the InChIKey of 2-(3-methoxybutyl)-2,3-dimethyloxirane?
The InChIKey is YHXFQYSMNCFNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-7(10-4)5-6-9(3)8(2)11-9/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-(3-methoxybutyl)-2,3-dimethyloxirane?
2-(3-methoxybutyl)-2,3-dimethyloxirane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxybutyl)-2,3-dimethyloxirane is sourced from PubChem (CID 13215879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).