2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol

C9H10O2 — CID 171617078

IUPAC2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol
SMILESOC1CCC23OC2C=CC=C13
InChIInChI=1S/C9H10O2/c10-7-4-5-9-6(7)2-1-3-8(9)11-9/h1-3,7-8,10H,4-5H2
InChIKeyKCFGOSIXFIQFAR-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.77
Rot. Bonds

About 2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol

2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol (PubChem CID 171617078) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol.

Molecular Properties

Compound Name2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol
PubChem CID171617078
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol
SMILESOC1CCC23OC2C=CC=C13
InChIInChI=1S/C9H10O2/c10-7-4-5-9-6(7)2-1-3-8(9)11-9/h1-3,7-8,10H,4-5H2
InChIKeyKCFGOSIXFIQFAR-UHFFFAOYSA-N
XLogP0.77
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-oxatetracyclo[7.2.2.02,4.02,8]trideca-1(11),5,7,9-tetraene
CID 71405158
(3R,4R,5S,8R,11R,12R,13S,16R,19R,20R,21S,24R)-4,12,20-trihydroxy-3,5,8,11,13,16,19,21,24-nonamethyl-1,9,17-trioxacyclotetracosane-2,10,18-trione
CID 139065675
(5S,8aR)-1-hydroxy-5,8a-dimethyl-5,6,7,8-tetrahydro-1H-isochromen-3-one
CID 14021015
(3'aS,4'S)-4',6',6'-trimethylspiro[1,3-dioxolane-2,7'-3a,4-dihydroindene]-5'-one
CID 15309697
(1R,2S,5R,8R,11R)-7-(hydroxymethyl)-15-oxatetracyclo[6.6.1.01,10.02,6]pentadeca-6,9-diene-5,11-diol
CID 132838455
(2R,5R,6E,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one
CID 131749935
(2R,5R,6Z,8Z)-5-hydroxy-2-methyl-2,3,4,5-tetrahydrooxecin-10-one
CID 140681812
(2R,4aR,6aR,10aS,10bR)-2-(furan-3-yl)-6a,10b-dimethyl-4-oxo-1,2,4a,5,6,10a-hexahydrobenzo[f]isochromene-7-carboxylic acid
CID 14635578
(4'aR,8'R)-8'-hydroxy-4'a-methylspiro[1,3-dioxolane-2,5'-4,6,7,8-tetrahydro-3H-naphthalene]-2'-one
CID 15624595
1aH-naphtho[1,8a-b]oxirene
CID 71356014
cis-(2R,6R)-2-amino-2-(2-chlorocyclohexa-2,4-dien-1-yl)-6-hydroxycyclohexan-1-one
CID 138628432
(3Z,5S,8R,11Z,13S,16R)-5,13-dihydroxy-8,16-dimethyl-1,9-dioxacyclohexadeca-3,11-diene-2,10-dione
CID 24871236

Frequently Asked Questions

What is the IUPAC name of 2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol?
The IUPAC name of 2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol (CID 171617078) is 2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol.
What is the SMILES notation for 2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol?
The canonical SMILES for 2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol is OC1CCC23OC2C=CC=C13.
What is the InChIKey of 2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol?
The InChIKey is KCFGOSIXFIQFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-7-4-5-9-6(7)2-1-3-8(9)11-9/h1-3,7-8,10H,4-5H2.
What are the key properties of 2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol?
2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol has a molecular weight of 150.18 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 2-oxatricyclo[5.3.0.01,3]deca-4,6-dien-8-ol is sourced from PubChem (CID 171617078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).