3-[(1S)-1-ethoxyethoxy]oxetane

C7H14O3 — CID 86317317

IUPAC3-[(1S)-1-ethoxyethoxy]oxetane
SMILESCCO[C@H](C)OC1COC1
InChIInChI=1S/C7H14O3/c1-3-9-6(2)10-7-4-8-5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyNXPNJCAIEXYHOZ-LURJTMIESA-N
MW146.19 g/mol
LogP0.78
Rot. Bonds4

About 3-[(1S)-1-ethoxyethoxy]oxetane

3-[(1S)-1-ethoxyethoxy]oxetane (PubChem CID 86317317) has the molecular formula C7H14O3 and a molecular weight of 146.19 g/mol. Its IUPAC name is 3-[(1S)-1-ethoxyethoxy]oxetane.

Molecular Properties

Compound Name3-[(1S)-1-ethoxyethoxy]oxetane
PubChem CID86317317
Molecular FormulaC7H14O3
Molecular Weight146.19 g/mol
Exact Mass146.09
IUPAC Name3-[(1S)-1-ethoxyethoxy]oxetane
SMILESCCO[C@H](C)OC1COC1
InChIInChI=1S/C7H14O3/c1-3-9-6(2)10-7-4-8-5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyNXPNJCAIEXYHOZ-LURJTMIESA-N
XLogP0.78
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(1-ethoxyethoxy)oxetane
CID 13153906
3-(1-butoxyethoxy)oxetane
CID 170903491
1,1-diethoxyethane
CID 7765
cyclopropane;1,1-diethoxyethane
CID 67020569
1,1-diethoxyethane;stannane
CID 87529398
1,1-diethoxyethane;sulfane
CID 87563963
2-[3-(1-ethoxyethoxy)-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclohexyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58720464
ethyl 2-(oxetan-3-yloxy)pentanoate
CID 102605335
[4-(1-ethoxyethoxy)cyclohexyl] 2,2-dimethylbutanoate
CID 58040859
2-ethoxy-4-(oxetan-3-yloxy)butan-1-amine
CID 102605740
2-ethoxy-3-(oxetan-3-yloxy)propanoic acid
CID 102608421
(2S)-2-(oxetan-3-yloxy)propanoic acid
CID 103338261

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-ethoxyethoxy]oxetane?
The IUPAC name of 3-[(1S)-1-ethoxyethoxy]oxetane (CID 86317317) is 3-[(1S)-1-ethoxyethoxy]oxetane.
What is the SMILES notation for 3-[(1S)-1-ethoxyethoxy]oxetane?
The canonical SMILES for 3-[(1S)-1-ethoxyethoxy]oxetane is CCO[C@H](C)OC1COC1.
What is the InChIKey of 3-[(1S)-1-ethoxyethoxy]oxetane?
The InChIKey is NXPNJCAIEXYHOZ-LURJTMIESA-N. The full InChI is InChI=1S/C7H14O3/c1-3-9-6(2)10-7-4-8-5-7/h6-7H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of 3-[(1S)-1-ethoxyethoxy]oxetane?
3-[(1S)-1-ethoxyethoxy]oxetane has a molecular weight of 146.19 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-ethoxyethoxy]oxetane is sourced from PubChem (CID 86317317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).