[3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol

C11H20O4 — CID 129190332

IUPAC[3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol
SMILESCCC1(CO)COC1C1CCOC1CO
InChIInChI=1S/C11H20O4/c1-2-11(6-13)7-15-10(11)8-3-4-14-9(8)5-12/h8-10,12-13H,2-7H2,1H3
InChIKeyBNJFKNFZHIWDEJ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.17
Rot. Bonds4

About [3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol

[3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol (PubChem CID 129190332) has the molecular formula C11H20O4 and a molecular weight of 216.28 g/mol. Its IUPAC name is [3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol.

Molecular Properties

Compound Name[3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol
PubChem CID129190332
Molecular FormulaC11H20O4
Molecular Weight216.28 g/mol
Exact Mass216.14
IUPAC Name[3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol
SMILESCCC1(CO)COC1C1CCOC1CO
InChIInChI=1S/C11H20O4/c1-2-11(6-13)7-15-10(11)8-3-4-14-9(8)5-12/h8-10,12-13H,2-7H2,1H3
InChIKeyBNJFKNFZHIWDEJ-UHFFFAOYSA-N
XLogP0.17
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol?
The IUPAC name of [3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol (CID 129190332) is [3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol.
What is the SMILES notation for [3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol?
The canonical SMILES for [3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol is CCC1(CO)COC1C1CCOC1CO.
What is the InChIKey of [3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol?
The InChIKey is BNJFKNFZHIWDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O4/c1-2-11(6-13)7-15-10(11)8-3-4-14-9(8)5-12/h8-10,12-13H,2-7H2,1H3.
What are the key properties of [3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol?
[3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol has a molecular weight of 216.28 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-ethyl-3-(hydroxymethyl)oxetan-2-yl]oxolan-2-yl]methanol is sourced from PubChem (CID 129190332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).