2-ethyl-2-(hexoxymethyl)oxirane

C11H22O2 — CID 54384555

IUPAC2-ethyl-2-(hexoxymethyl)oxirane
SMILESCCCCCCOCC1(CC)CO1
InChIInChI=1S/C11H22O2/c1-3-5-6-7-8-12-9-11(4-2)10-13-11/h3-10H2,1-2H3
InChIKeyVCHVQLOFQYTVBH-UHFFFAOYSA-N
MW186.29 g/mol
LogP2.76
Rot. Bonds8

About 2-ethyl-2-(hexoxymethyl)oxirane

2-ethyl-2-(hexoxymethyl)oxirane (PubChem CID 54384555) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-ethyl-2-(hexoxymethyl)oxirane.

Molecular Properties

Compound Name2-ethyl-2-(hexoxymethyl)oxirane
PubChem CID54384555
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-ethyl-2-(hexoxymethyl)oxirane
SMILESCCCCCCOCC1(CC)CO1
InChIInChI=1S/C11H22O2/c1-3-5-6-7-8-12-9-11(4-2)10-13-11/h3-10H2,1-2H3
InChIKeyVCHVQLOFQYTVBH-UHFFFAOYSA-N
XLogP2.76
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hexyl glycidyl ether
CID 22213
Oxirane, ((1,1-dimethylbutoxy)methyl)
CID 142603
Hexyl glycidyl ether, (R)-
CID 36691064
Butyldiglycidylether
CID 129889594
Hexyl glycidyl ether, (S)-
CID 15619896
2-(Hexoxymethyl)-2-methyloxirane
CID 23468428
2-{[(2-Methylhexyl)oxy]methyl}oxirane
CID 71340045
2-(Heptan-2-yloxymethyl)oxirane
CID 85598515
2-(Hexoxymethyl)-3-methyloxirane
CID 88561790
2-Ethyl-2-(pentoxymethyl)oxirane
CID 175272584
4-Butoxy-2-methyl-2,3-epoxybutane
CID 12723340
2-Hexyloxy-1-(oxiran-2-ylmethoxy)ethane
CID 4230369

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(hexoxymethyl)oxirane?
The IUPAC name of 2-ethyl-2-(hexoxymethyl)oxirane (CID 54384555) is 2-ethyl-2-(hexoxymethyl)oxirane.
What is the SMILES notation for 2-ethyl-2-(hexoxymethyl)oxirane?
The canonical SMILES for 2-ethyl-2-(hexoxymethyl)oxirane is CCCCCCOCC1(CC)CO1.
What is the InChIKey of 2-ethyl-2-(hexoxymethyl)oxirane?
The InChIKey is VCHVQLOFQYTVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-3-5-6-7-8-12-9-11(4-2)10-13-11/h3-10H2,1-2H3.
What are the key properties of 2-ethyl-2-(hexoxymethyl)oxirane?
2-ethyl-2-(hexoxymethyl)oxirane has a molecular weight of 186.29 g/mol, XLogP of 2.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(hexoxymethyl)oxirane is sourced from PubChem (CID 54384555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).