4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol

C7H10O2S — CID 89309076

IUPAC4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3SOC1C3C2
InChIInChI=1S/C7H10O2S/c8-6-3-1-4-5(2-3)10-9-7(4)6/h3-8H,1-2H2
InChIKeyFJLIMXKFWVZKEM-UHFFFAOYSA-N
MW158.22 g/mol
LogP0.80
Rot. Bonds

About 4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol

4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol (PubChem CID 89309076) has the molecular formula C7H10O2S and a molecular weight of 158.22 g/mol. Its IUPAC name is 4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol.

Molecular Properties

Compound Name4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol
PubChem CID89309076
Molecular FormulaC7H10O2S
Molecular Weight158.22 g/mol
Exact Mass158.04
IUPAC Name4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol
SMILESOC1C2CC3SOC1C3C2
InChIInChI=1S/C7H10O2S/c8-6-3-1-4-5(2-3)10-9-7(4)6/h3-8H,1-2H2
InChIKeyFJLIMXKFWVZKEM-UHFFFAOYSA-N
XLogP0.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-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

(1R,3R,6R)-tricyclo[2.2.1.02,6]heptan-3-ol
CID 6979104
6-methyl-4-oxatricyclo[5.2.1.03,8]decan-2-ol
CID 151788696
(1R,7S)-5,5-bis(trifluoromethyl)-4-oxatricyclo[4.2.1.03,7]nonan-2-ol
CID 89040687
(1R,5S)-3-oxabicyclo[3.1.0]hexan-2-ol
CID 130756816
5,6-dihydroxybicyclo[2.2.1]heptane-2-carboxylic acid
CID 69029104
tricyclo[4.3.1.13,8]undecane-2,7-diol
CID 12673622
(1S,4R)-bicyclo[2.1.0]pentane-2,3-diol
CID 101126936
(2S,3R,4S,5R,6R,10S,11S,12R,13S,14R)-pentacyclo[6.6.0.02,6.03,13.010,14]tetradecane-4,5,11,12-tetrol
CID 100935655
4-amino-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 130495046
(1S,2S,3S,5S,6S,7R)-2-bromo-4-oxatricyclo[4.2.1.03,7]nonan-5-ol
CID 22840737
4,4-dimethyl-3,5,9-trioxatricyclo[5.3.1.02,6]undecan-8-ol
CID 14226074
2-oxabicyclo[1.1.1]pentan-4-ol
CID 171036027

Frequently Asked Questions

What is the IUPAC name of 4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol?
The IUPAC name of 4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol (CID 89309076) is 4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol.
What is the SMILES notation for 4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol?
The canonical SMILES for 4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol is OC1C2CC3SOC1C3C2.
What is the InChIKey of 4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol?
The InChIKey is FJLIMXKFWVZKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2S/c8-6-3-1-4-5(2-3)10-9-7(4)6/h3-8H,1-2H2.
What are the key properties of 4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol?
4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol has a molecular weight of 158.22 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxa-5-thiatricyclo[4.2.1.03,7]nonan-2-ol is sourced from PubChem (CID 89309076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).