3-ethyl-3-(2-hexoxybutan-2-yl)oxetane

C15H30O2 — CID 146546175

IUPAC3-ethyl-3-(2-hexoxybutan-2-yl)oxetane
SMILESCCCCCCOC(C)(CC)C1(CC)COC1
InChIInChI=1S/C15H30O2/c1-5-8-9-10-11-17-14(4,6-2)15(7-3)12-16-13-15/h5-13H2,1-4H3
InChIKeyPHCMSXLUAWRZDG-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.18
Rot. Bonds9

About 3-ethyl-3-(2-hexoxybutan-2-yl)oxetane

3-ethyl-3-(2-hexoxybutan-2-yl)oxetane (PubChem CID 146546175) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 3-ethyl-3-(2-hexoxybutan-2-yl)oxetane.

Molecular Properties

Compound Name3-ethyl-3-(2-hexoxybutan-2-yl)oxetane
PubChem CID146546175
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name3-ethyl-3-(2-hexoxybutan-2-yl)oxetane
SMILESCCCCCCOC(C)(CC)C1(CC)COC1
InChIInChI=1S/C15H30O2/c1-5-8-9-10-11-17-14(4,6-2)15(7-3)12-16-13-15/h5-13H2,1-4H3
InChIKeyPHCMSXLUAWRZDG-UHFFFAOYSA-N
XLogP4.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[1-butoxy-1-[1-butoxy-1-(3-ethyloxetan-3-yl)propoxy]propyl]-3-ethyloxetane
CID 66694601
3-ethyl-3-[3-[3-(3-ethyloxetan-3-yl)nonan-3-yloxy]nonan-3-yl]oxetane
CID 141156042
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698
azane;2-dodecoxypropan-2-ol
CID 87960511
3-ethyl-3-(octadecoxymethyl)oxetane
CID 22496628
3,3-bis(octoxymethyl)oxetane
CID 58963686
lithium;hydride;1-[(2-methylpropan-2-yl)oxy]octane
CID 174475120
trioctoxymethoxyphosphane
CID 175426752
9-heptoxy-9-methylhenicosane
CID 91127088
2-dodecoxy-2-methyltetradecane
CID 158074564
2-decoxy-2-methylbutan-1-ol
CID 152517276
[2-(3-ethyloxetan-3-yl)-2-propoxybutyl]-dimethoxysilane
CID 173225842

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-hexoxybutan-2-yl)oxetane?
The IUPAC name of 3-ethyl-3-(2-hexoxybutan-2-yl)oxetane (CID 146546175) is 3-ethyl-3-(2-hexoxybutan-2-yl)oxetane.
What is the SMILES notation for 3-ethyl-3-(2-hexoxybutan-2-yl)oxetane?
The canonical SMILES for 3-ethyl-3-(2-hexoxybutan-2-yl)oxetane is CCCCCCOC(C)(CC)C1(CC)COC1.
What is the InChIKey of 3-ethyl-3-(2-hexoxybutan-2-yl)oxetane?
The InChIKey is PHCMSXLUAWRZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-5-8-9-10-11-17-14(4,6-2)15(7-3)12-16-13-15/h5-13H2,1-4H3.
What are the key properties of 3-ethyl-3-(2-hexoxybutan-2-yl)oxetane?
3-ethyl-3-(2-hexoxybutan-2-yl)oxetane has a molecular weight of 242.40 g/mol, XLogP of 4.18, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-hexoxybutan-2-yl)oxetane is sourced from PubChem (CID 146546175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).