8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol

C8H10O2 — CID 117100359

IUPAC8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol
SMILESOCC12CC1C1C=CC2O1
InChIInChI=1S/C8H10O2/c9-4-8-3-5(8)6-1-2-7(8)10-6/h1-2,5-7,9H,3-4H2
InChIKeyQTOPXGJQZXTJFP-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.32
Rot. Bonds1

About 8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol

8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol (PubChem CID 117100359) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol.

Molecular Properties

Compound Name8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol
PubChem CID117100359
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol
SMILESOCC12CC1C1C=CC2O1
InChIInChI=1S/C8H10O2/c9-4-8-3-5(8)6-1-2-7(8)10-6/h1-2,5-7,9H,3-4H2
InChIKeyQTOPXGJQZXTJFP-UHFFFAOYSA-N
XLogP0.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1R,5S)-1-(hydroxymethyl)-4-iodobicyclo[3.1.0]hexan-2-ol
CID 130233839
CID 21015292
CID 21015292
(1-methyl-10-oxatricyclo[5.2.1.02,6]dec-8-en-2-yl)methanol
CID 100930541
(1R,2R,4R)-2-(aminomethyl)-7-oxabicyclo[2.2.1]hept-5-en-2-ol
CID 55288942
(1S,4R,5R)-4-chloro-2,2-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 12922082
(1R,2R,3S,4S,5S,6S)-5-amino-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4-triol
CID 10420003
8-oxatetracyclo[3.2.1.12,4.02,4]non-6-ene
CID 15469455
(1R,4S,5S)-2,2,4-trimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 10797139
2-ethyl-4,10-dioxatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 89307420
(4-amino-10-oxatricyclo[5.2.1.02,6]decan-4-yl)methanol
CID 117274933
(1R,4R,5S)-4-methoxy-2,2-dimethyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
CID 100958643
4-chloro-2-methoxy-2-methyl-8-oxabicyclo[3.2.1]oct-6-en-3-ol
CID 130020467

Frequently Asked Questions

What is the IUPAC name of 8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol?
The IUPAC name of 8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol (CID 117100359) is 8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol.
What is the SMILES notation for 8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol?
The canonical SMILES for 8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol is OCC12CC1C1C=CC2O1.
What is the InChIKey of 8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol?
The InChIKey is QTOPXGJQZXTJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-4-8-3-5(8)6-1-2-7(8)10-6/h1-2,5-7,9H,3-4H2.
What are the key properties of 8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol?
8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol has a molecular weight of 138.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxatricyclo[3.2.1.02,4]oct-6-en-2-ylmethanol is sourced from PubChem (CID 117100359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).