4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol

C9H12O2 — CID 550026

IUPAC4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
SMILESOC1OCC2C3C=CC(C3)C12
InChIInChI=1S/C9H12O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5-10H,3-4H2
InChIKeyMSPXLDIYOLJENY-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.77
Rot. Bonds

About 4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol

4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol (PubChem CID 550026) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol.

Molecular Properties

Compound Name4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
PubChem CID550026
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
SMILESOC1OCC2C3C=CC(C3)C12
InChIInChI=1S/C9H12O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5-10H,3-4H2
InChIKeyMSPXLDIYOLJENY-UHFFFAOYSA-N
XLogP0.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.77
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,2S,3R,6R,7S)-4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol
CID 11147824
hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-ene-4,5-diol
CID 139797029
(1R,2S,3R,6S,7S)-4,10-dioxatricyclo[5.2.1.02,6]dec-8-en-3-ol
CID 13388579
tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
CID 521932
(3R)-4-oxatricyclo[5.2.1.02,6]decan-3-ol
CID 169044740
(1S,2S,5R)-6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol
CID 100948278
6-methyl-3-oxabicyclo[3.2.0]heptan-2-ol
CID 130146998
hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene
CID 100957910
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
3-(2-bicyclo[2.2.1]hept-5-enyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 15829496
(2R,4S,7R,9S)-tricyclo[5.2.1.04,10]dec-5-ene-2,9-diol
CID 95565725
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609

Frequently Asked Questions

What is the IUPAC name of 4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
The IUPAC name of 4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol (CID 550026) is 4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol.
What is the SMILES notation for 4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
The canonical SMILES for 4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol is OC1OCC2C3C=CC(C3)C12.
What is the InChIKey of 4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
The InChIKey is MSPXLDIYOLJENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c10-9-8-6-2-1-5(3-6)7(8)4-11-9/h1-2,5-10H,3-4H2.
What are the key properties of 4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol?
4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol has a molecular weight of 152.19 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxatricyclo[5.2.1.02,6]dec-8-en-3-ol is sourced from PubChem (CID 550026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).