[4-(oxetan-3-ylmethyl)oxan-4-yl]methanol

C10H18O3 — CID 130135695

IUPAC[4-(oxetan-3-ylmethyl)oxan-4-yl]methanol
SMILESOCC1(CC2COC2)CCOCC1
InChIInChI=1S/C10H18O3/c11-8-10(1-3-12-4-2-10)5-9-6-13-7-9/h9,11H,1-8H2
InChIKeySMDYJOIIPXYELI-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.81
Rot. Bonds3

About [4-(oxetan-3-ylmethyl)oxan-4-yl]methanol

[4-(oxetan-3-ylmethyl)oxan-4-yl]methanol (PubChem CID 130135695) has the molecular formula C10H18O3 and a molecular weight of 186.25 g/mol. Its IUPAC name is [4-(oxetan-3-ylmethyl)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(oxetan-3-ylmethyl)oxan-4-yl]methanol
PubChem CID130135695
Molecular FormulaC10H18O3
Molecular Weight186.25 g/mol
Exact Mass186.13
IUPAC Name[4-(oxetan-3-ylmethyl)oxan-4-yl]methanol
SMILESOCC1(CC2COC2)CCOCC1
InChIInChI=1S/C10H18O3/c11-8-10(1-3-12-4-2-10)5-9-6-13-7-9/h9,11H,1-8H2
InChIKeySMDYJOIIPXYELI-UHFFFAOYSA-N
XLogP0.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(cyclobutylmethyl)oxolan-3-yl]methanol
CID 130135661
[3-(cyclohexylmethyl)oxolan-3-yl]methanol
CID 66060066
ethane;(4-ethyloxan-4-yl)methanol
CID 143573647
[4-(cyclopentylmethyl)oxan-4-yl]methanamine
CID 62905905
[4-(cyclohexylmethyl)oxan-4-yl]methanamine
CID 62906945
[3-[(5,5-dimethyloxolan-2-yl)methyl]oxolan-3-yl]methanol
CID 116525124
[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol
CID 64581388
[1-[[3-(hydroxymethyl)oxolan-3-yl]methyl]piperidin-3-yl]methanol
CID 62270528
[3-[(dimethylamino)methyl]oxolan-3-yl]methanol
CID 62270559
3-[4-(aminomethyl)oxan-4-yl]oxolan-3-ol
CID 79135319
[4,4-dimethyl-1-(oxiran-2-ylmethyl)cyclohexyl]methanol
CID 165442527
[3-[(1-methylsulfonylpiperidin-3-yl)methyl]oxolan-3-yl]methanol
CID 79623271

Frequently Asked Questions

What is the IUPAC name of [4-(oxetan-3-ylmethyl)oxan-4-yl]methanol?
The IUPAC name of [4-(oxetan-3-ylmethyl)oxan-4-yl]methanol (CID 130135695) is [4-(oxetan-3-ylmethyl)oxan-4-yl]methanol.
What is the SMILES notation for [4-(oxetan-3-ylmethyl)oxan-4-yl]methanol?
The canonical SMILES for [4-(oxetan-3-ylmethyl)oxan-4-yl]methanol is OCC1(CC2COC2)CCOCC1.
What is the InChIKey of [4-(oxetan-3-ylmethyl)oxan-4-yl]methanol?
The InChIKey is SMDYJOIIPXYELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O3/c11-8-10(1-3-12-4-2-10)5-9-6-13-7-9/h9,11H,1-8H2.
What are the key properties of [4-(oxetan-3-ylmethyl)oxan-4-yl]methanol?
[4-(oxetan-3-ylmethyl)oxan-4-yl]methanol has a molecular weight of 186.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(oxetan-3-ylmethyl)oxan-4-yl]methanol is sourced from PubChem (CID 130135695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).