(3-methyloxetan-3-yl)methanol;oxetan-2-ol

C8H16O4 — CID 89400317

IUPAC(3-methyloxetan-3-yl)methanol;oxetan-2-ol
SMILESCC1(CO)COC1.OC1CCO1
InChIInChI=1S/C5H10O2.C3H6O2/c1-5(2-6)3-7-4-5;4-3-1-2-5-3/h6H,2-4H2,1H3;3-4H,1-2H2
InChIKeyHWPHPBWPQNZUNG-UHFFFAOYSA-N
MW176.21 g/mol
LogP-0.26
Rot. Bonds1

About (3-methyloxetan-3-yl)methanol;oxetan-2-ol

(3-methyloxetan-3-yl)methanol;oxetan-2-ol (PubChem CID 89400317) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methanol;oxetan-2-ol.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methanol;oxetan-2-ol
PubChem CID89400317
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(3-methyloxetan-3-yl)methanol;oxetan-2-ol
SMILESCC1(CO)COC1.OC1CCO1
InChIInChI=1S/C5H10O2.C3H6O2/c1-5(2-6)3-7-4-5;4-3-1-2-5-3/h6H,2-4H2,1H3;3-4H,1-2H2
InChIKeyHWPHPBWPQNZUNG-UHFFFAOYSA-N
XLogP-0.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methanol;oxetan-2-ol?
The IUPAC name of (3-methyloxetan-3-yl)methanol;oxetan-2-ol (CID 89400317) is (3-methyloxetan-3-yl)methanol;oxetan-2-ol.
What is the SMILES notation for (3-methyloxetan-3-yl)methanol;oxetan-2-ol?
The canonical SMILES for (3-methyloxetan-3-yl)methanol;oxetan-2-ol is CC1(CO)COC1.OC1CCO1.
What is the InChIKey of (3-methyloxetan-3-yl)methanol;oxetan-2-ol?
The InChIKey is HWPHPBWPQNZUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.C3H6O2/c1-5(2-6)3-7-4-5;4-3-1-2-5-3/h6H,2-4H2,1H3;3-4H,1-2H2.
What are the key properties of (3-methyloxetan-3-yl)methanol;oxetan-2-ol?
(3-methyloxetan-3-yl)methanol;oxetan-2-ol has a molecular weight of 176.21 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methanol;oxetan-2-ol is sourced from PubChem (CID 89400317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).