2-(2-methylpentan-2-yloxymethyl)oxirane

C9H18O2 — CID 21122402

IUPAC2-(2-methylpentan-2-yloxymethyl)oxirane
SMILESCCCC(C)(C)OCC1CO1
InChIInChI=1S/C9H18O2/c1-4-5-9(2,3)11-7-8-6-10-8/h8H,4-7H2,1-3H3
InChIKeyYGZKNPKBMUVXBE-UHFFFAOYSA-N
MW158.24 g/mol
LogP1.98
Rot. Bonds5

About 2-(2-methylpentan-2-yloxymethyl)oxirane

2-(2-methylpentan-2-yloxymethyl)oxirane (PubChem CID 21122402) has the molecular formula C9H18O2 and a molecular weight of 158.24 g/mol. Its IUPAC name is 2-(2-methylpentan-2-yloxymethyl)oxirane.

Molecular Properties

Compound Name2-(2-methylpentan-2-yloxymethyl)oxirane
PubChem CID21122402
Molecular FormulaC9H18O2
Molecular Weight158.24 g/mol
Exact Mass158.13
IUPAC Name2-(2-methylpentan-2-yloxymethyl)oxirane
SMILESCCCC(C)(C)OCC1CO1
InChIInChI=1S/C9H18O2/c1-4-5-9(2,3)11-7-8-6-10-8/h8H,4-7H2,1-3H3
InChIKeyYGZKNPKBMUVXBE-UHFFFAOYSA-N
XLogP1.98
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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'}

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Related Compounds

Oxirane, 2-[(1,3-dimethylbutoxy)methyl]-
CID 24691573
((Isopentyloxy)methyl)oxirane
CID 85936
2-(Butoxymethyl)-2-methyloxirane
CID 23468445
Ethyle hexyl glycidyl ether
CID 54384555
Butyldiglycidylether
CID 129889594
(3-Ethyl-3-glycidyloxymethyl)oxetane
CID 153984103
((1,1-Dimethylpropoxy)methyl)oxirane
CID 142602
Oxirane, ((1,1-dimethylbutoxy)methyl)
CID 142603
Oxirane, 2,2'-((dimethyl-1,3-propanediyl)bis(oxymethylene))bis-
CID 6453146
(Methylbutyl)-(2,3-epoxypropyl)-ether
CID 57224624
4-Butoxy-2-methyl-2,3-epoxybutane
CID 12723340
2,2'-(6,,-Trimethyl-2,5,8,11-tetraoxadodecane-1,12-diyl)bisoxirane
CID 44151813

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpentan-2-yloxymethyl)oxirane?
The IUPAC name of 2-(2-methylpentan-2-yloxymethyl)oxirane (CID 21122402) is 2-(2-methylpentan-2-yloxymethyl)oxirane.
What is the SMILES notation for 2-(2-methylpentan-2-yloxymethyl)oxirane?
The canonical SMILES for 2-(2-methylpentan-2-yloxymethyl)oxirane is CCCC(C)(C)OCC1CO1.
What is the InChIKey of 2-(2-methylpentan-2-yloxymethyl)oxirane?
The InChIKey is YGZKNPKBMUVXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18O2/c1-4-5-9(2,3)11-7-8-6-10-8/h8H,4-7H2,1-3H3.
What are the key properties of 2-(2-methylpentan-2-yloxymethyl)oxirane?
2-(2-methylpentan-2-yloxymethyl)oxirane has a molecular weight of 158.24 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpentan-2-yloxymethyl)oxirane is sourced from PubChem (CID 21122402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).