[6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol

C8H14O3 — CID 154373612

IUPAC[6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol
SMILESOCC1C2COC(C2)C1CO
InChIInChI=1S/C8H14O3/c9-2-6-5-1-8(11-4-5)7(6)3-10/h5-10H,1-4H2
InChIKeyCGISYTODGYPLNJ-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.38
Rot. Bonds2

About [6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol

[6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol (PubChem CID 154373612) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is [6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol.

Molecular Properties

Compound Name[6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol
PubChem CID154373612
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name[6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol
SMILESOCC1C2COC(C2)C1CO
InChIInChI=1S/C8H14O3/c9-2-6-5-1-8(11-4-5)7(6)3-10/h5-10H,1-4H2
InChIKeyCGISYTODGYPLNJ-UHFFFAOYSA-N
XLogP-0.38
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol with MolForge

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Related Compounds

Buchariol
CID 101009028
7,10S-epoxycycloneran-3,15-diol
CID 146682957
7,10R-epoxycycloneran-3,15-diol
CID 146682958
(3S)-2-methyl-5-[(1R,3S,4S,7R)-1,3,7-trimethyl-2-oxabicyclo[2.2.1]heptan-3-yl]pentane-2,3-diol
CID 163008999
rac-((1R,4S,5S)-1-methyl-2-oxabicyclo(2.2.1)heptan-5-yl)methanol
CID 155820615
(4S,10S)-3,5-dioxatricyclo[5.2.1.04,8]decan-10-ol
CID 134968430
(1S,2R,3S,4R,7S,9S)-7,9-dimethyl-4-propan-2-yl-8-oxatricyclo[5.4.0.02,9]undecan-3-ol
CID 53363841
[(1R,2R,3S,5R)-3-methoxy-2-(methoxymethyl)-5-methylcyclopentyl]methanol
CID 58400409
[(1R,2R,3R,5S)-3-methyl-6-oxabicyclo[3.1.0]hexan-2-yl]methanol
CID 58620310
(3S)-1-[(1S,4R,5S)-5-(7-hydroxyheptyl)-2-oxabicyclo[2.2.1]heptan-6-yl]octan-3-ol
CID 59072928
CID 59483104
CID 59483104
CID 59483155
CID 59483155

Frequently Asked Questions

What is the IUPAC name of [6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol?
The IUPAC name of [6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol (CID 154373612) is [6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol.
What is the SMILES notation for [6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol?
The canonical SMILES for [6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol is OCC1C2COC(C2)C1CO.
What is the InChIKey of [6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol?
The InChIKey is CGISYTODGYPLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-2-6-5-1-8(11-4-5)7(6)3-10/h5-10H,1-4H2.
What are the key properties of [6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol?
[6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol has a molecular weight of 158.20 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-5-yl]methanol is sourced from PubChem (CID 154373612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).