1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol

C10H20O3 — CID 11550130

IUPAC1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol
SMILESCCC(O)COCC1(CC)COC1
InChIInChI=1S/C10H20O3/c1-3-9(11)5-12-6-10(4-2)7-13-8-10/h9,11H,3-8H2,1-2H3
InChIKeyDDAHWVFFYZRMBZ-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.20
Rot. Bonds6

About 1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol

1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol (PubChem CID 11550130) has the molecular formula C10H20O3 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol.

Molecular Properties

Compound Name1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol
PubChem CID11550130
Molecular FormulaC10H20O3
Molecular Weight188.27 g/mol
Exact Mass188.14
IUPAC Name1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol
SMILESCCC(O)COCC1(CC)COC1
InChIInChI=1S/C10H20O3/c1-3-9(11)5-12-6-10(4-2)7-13-8-10/h9,11H,3-8H2,1-2H3
InChIKeyDDAHWVFFYZRMBZ-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol?
The IUPAC name of 1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol (CID 11550130) is 1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol.
What is the SMILES notation for 1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol?
The canonical SMILES for 1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol is CCC(O)COCC1(CC)COC1.
What is the InChIKey of 1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol?
The InChIKey is DDAHWVFFYZRMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-3-9(11)5-12-6-10(4-2)7-13-8-10/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol?
1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol has a molecular weight of 188.27 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyloxetan-3-yl)methoxy]butan-2-ol is sourced from PubChem (CID 11550130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).