7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol

C8H14O3 — CID 134855564

IUPAC7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol
SMILESOCC1OC2CC1CCC2O
InChIInChI=1S/C8H14O3/c9-4-8-5-1-2-6(10)7(3-5)11-8/h5-10H,1-4H2
InChIKeyXBWGYESJLRDSJB-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.09
Rot. Bonds1

About 7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol

7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol (PubChem CID 134855564) has the molecular formula C8H14O3 and a molecular weight of 158.20 g/mol. Its IUPAC name is 7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol.

Molecular Properties

Compound Name7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol
PubChem CID134855564
Molecular FormulaC8H14O3
Molecular Weight158.20 g/mol
Exact Mass158.09
IUPAC Name7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol
SMILESOCC1OC2CC1CCC2O
InChIInChI=1S/C8H14O3/c9-4-8-5-1-2-6(10)7(3-5)11-8/h5-10H,1-4H2
InChIKeyXBWGYESJLRDSJB-UHFFFAOYSA-N
XLogP-0.09
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,32R,34R,36R,38R,40R,42R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaheptacyclo[26.2.2.23,6.28,11.213,16.218,21.223,26]dotetracontane-32,34,36,38,40,42-hexol;hexahydrochloride
CID 139884932
(4aS,6R,7S,9aR)-6-(hydroxymethyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrano[3,2-b]oxepin-7-ol
CID 10965574
(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
(1S,2R,5R,6R)-9-oxabicyclo[4.2.1]nonane-2,5-diol
CID 93481856
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
(2R,3S,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 27556866
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384
(4aS,8aS)-2-(hydroxymethyl)-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran-3,7-diol
CID 137402322
(3R,6R)-6-tert-butyl-2-(hydroxymethyl)oxane-3,4-diol
CID 58716425
CID 59914550
CID 59914550
(2R,3S,5R)-5-chloro-2-(hydroxymethyl)oxolan-3-ol
CID 67099694

Frequently Asked Questions

What is the IUPAC name of 7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol?
The IUPAC name of 7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol (CID 134855564) is 7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol.
What is the SMILES notation for 7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol?
The canonical SMILES for 7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol is OCC1OC2CC1CCC2O.
What is the InChIKey of 7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol?
The InChIKey is XBWGYESJLRDSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O3/c9-4-8-5-1-2-6(10)7(3-5)11-8/h5-10H,1-4H2.
What are the key properties of 7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol?
7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol has a molecular weight of 158.20 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(hydroxymethyl)-6-oxabicyclo[3.2.1]octan-4-ol is sourced from PubChem (CID 134855564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).