3-ethyl-2,4-dimethyloxetan-3-ol

C7H14O2 — CID 140722554

IUPAC3-ethyl-2,4-dimethyloxetan-3-ol
SMILESCCC1(O)C(C)OC1C
InChIInChI=1S/C7H14O2/c1-4-7(8)5(2)9-6(7)3/h5-6,8H,4H2,1-3H3
InChIKeyNSJGEZFQXMCKMD-UHFFFAOYSA-N
MW130.19 g/mol
LogP0.93
Rot. Bonds1

About 3-ethyl-2,4-dimethyloxetan-3-ol

3-ethyl-2,4-dimethyloxetan-3-ol (PubChem CID 140722554) has the molecular formula C7H14O2 and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-ethyl-2,4-dimethyloxetan-3-ol.

Molecular Properties

Compound Name3-ethyl-2,4-dimethyloxetan-3-ol
PubChem CID140722554
Molecular FormulaC7H14O2
Molecular Weight130.19 g/mol
Exact Mass130.10
IUPAC Name3-ethyl-2,4-dimethyloxetan-3-ol
SMILESCCC1(O)C(C)OC1C
InChIInChI=1S/C7H14O2/c1-4-7(8)5(2)9-6(7)3/h5-6,8H,4H2,1-3H3
InChIKeyNSJGEZFQXMCKMD-UHFFFAOYSA-N
XLogP0.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,4-dimethyloxetan-3-ol?
The IUPAC name of 3-ethyl-2,4-dimethyloxetan-3-ol (CID 140722554) is 3-ethyl-2,4-dimethyloxetan-3-ol.
What is the SMILES notation for 3-ethyl-2,4-dimethyloxetan-3-ol?
The canonical SMILES for 3-ethyl-2,4-dimethyloxetan-3-ol is CCC1(O)C(C)OC1C.
What is the InChIKey of 3-ethyl-2,4-dimethyloxetan-3-ol?
The InChIKey is NSJGEZFQXMCKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2/c1-4-7(8)5(2)9-6(7)3/h5-6,8H,4H2,1-3H3.
What are the key properties of 3-ethyl-2,4-dimethyloxetan-3-ol?
3-ethyl-2,4-dimethyloxetan-3-ol has a molecular weight of 130.19 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,4-dimethyloxetan-3-ol is sourced from PubChem (CID 140722554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).