2-(3-methyloxetan-3-yl)oxan-4-ol

C9H16O3 — CID 86717635

IUPAC2-(3-methyloxetan-3-yl)oxan-4-ol
SMILESCC1(C2CC(O)CCO2)COC1
InChIInChI=1S/C9H16O3/c1-9(5-11-6-9)8-4-7(10)2-3-12-8/h7-8,10H,2-6H2,1H3
InChIKeyXFAQLXIPTJIBOJ-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.56
Rot. Bonds1

About 2-(3-methyloxetan-3-yl)oxan-4-ol

2-(3-methyloxetan-3-yl)oxan-4-ol (PubChem CID 86717635) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-(3-methyloxetan-3-yl)oxan-4-ol.

Molecular Properties

Compound Name2-(3-methyloxetan-3-yl)oxan-4-ol
PubChem CID86717635
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-(3-methyloxetan-3-yl)oxan-4-ol
SMILESCC1(C2CC(O)CCO2)COC1
InChIInChI=1S/C9H16O3/c1-9(5-11-6-9)8-4-7(10)2-3-12-8/h7-8,10H,2-6H2,1H3
InChIKeyXFAQLXIPTJIBOJ-UHFFFAOYSA-N
XLogP0.56
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyloxetan-3-yl)oxan-4-ol?
The IUPAC name of 2-(3-methyloxetan-3-yl)oxan-4-ol (CID 86717635) is 2-(3-methyloxetan-3-yl)oxan-4-ol.
What is the SMILES notation for 2-(3-methyloxetan-3-yl)oxan-4-ol?
The canonical SMILES for 2-(3-methyloxetan-3-yl)oxan-4-ol is CC1(C2CC(O)CCO2)COC1.
What is the InChIKey of 2-(3-methyloxetan-3-yl)oxan-4-ol?
The InChIKey is XFAQLXIPTJIBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-9(5-11-6-9)8-4-7(10)2-3-12-8/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-(3-methyloxetan-3-yl)oxan-4-ol?
2-(3-methyloxetan-3-yl)oxan-4-ol has a molecular weight of 172.22 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyloxetan-3-yl)oxan-4-ol is sourced from PubChem (CID 86717635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).