3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol

C12H20O3 — CID 171951865

IUPAC3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCC1(CC2(O)CC3CCC(C2)O3)COC1
InChIInChI=1S/C12H20O3/c1-11(7-14-8-11)6-12(13)4-9-2-3-10(5-12)15-9/h9-10,13H,2-8H2,1H3
InChIKeyNVTGMCTUPHDPRB-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.49
Rot. Bonds2

About 3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol

3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171951865) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171951865
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol
SMILESCC1(CC2(O)CC3CCC(C2)O3)COC1
InChIInChI=1S/C12H20O3/c1-11(7-14-8-11)6-12(13)4-9-2-3-10(5-12)15-9/h9-10,13H,2-8H2,1H3
InChIKeyNVTGMCTUPHDPRB-UHFFFAOYSA-N
XLogP1.49
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol (CID 171951865) is 3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol is CC1(CC2(O)CC3CCC(C2)O3)COC1.
What is the InChIKey of 3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is NVTGMCTUPHDPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-11(7-14-8-11)6-12(13)4-9-2-3-10(5-12)15-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol?
3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 212.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyloxetan-3-yl)methyl]-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171951865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).