2-oxatricyclo[3.2.1.01,3]octane

C7H10O — CID 12948612

IUPAC2-oxatricyclo[3.2.1.01,3]octane
SMILESC1CC23CC1CC2O3
InChIInChI=1S/C7H10O/c1-2-7-4-5(1)3-6(7)8-7/h5-6H,1-4H2
InChIKeyKMSLECPFEPNZQN-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.33
Rot. Bonds

About 2-oxatricyclo[3.2.1.01,3]octane

2-oxatricyclo[3.2.1.01,3]octane (PubChem CID 12948612) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-oxatricyclo[3.2.1.01,3]octane.

Molecular Properties

Compound Name2-oxatricyclo[3.2.1.01,3]octane
PubChem CID12948612
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name2-oxatricyclo[3.2.1.01,3]octane
SMILESC1CC23CC1CC2O3
InChIInChI=1S/C7H10O/c1-2-7-4-5(1)3-6(7)8-7/h5-6H,1-4H2
InChIKeyKMSLECPFEPNZQN-UHFFFAOYSA-N
XLogP1.33
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-oxatricyclo[3.2.1.01,3]octane 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

exo-2,3-Epoxynorbornane
CID 18463
rel-(1R,2S,4R,5S)-3-Oxatricyclo[3.2.1.02,4]octane
CID 11789154
cis-2,3-Epoxybicyclo[2.2.1]heptane
CID 6432296
Rel-(1R,2R,4S,5S)-3-oxatricyclo[3.2.1.02,4]octane
CID 10887852
(1R,5S)-3-oxatricyclo[3.2.1.02,4]octane
CID 11094562
4-Ethyl-2-oxatricyclo[3.2.1.01,3]octane
CID 54420561
(1S,4S,5R)-3-oxatricyclo[3.2.1.02,4]octane
CID 88435948
Ethane;3-oxatricyclo[3.2.1.02,4]octane
CID 90949248
Ethane;3-oxatricyclo[3.2.1.02,4]octane
CID 91025557
2-Methylpropane;3-oxatricyclo[3.2.1.02,4]octane
CID 91365764
8,8-Dimethyl-2-oxatricyclo[3.2.1.01,3]octane
CID 91447527
2-Oxatetracyclo[4.2.0.01,3.05,7]octane
CID 123542204

Frequently Asked Questions

What is the IUPAC name of 2-oxatricyclo[3.2.1.01,3]octane?
The IUPAC name of 2-oxatricyclo[3.2.1.01,3]octane (CID 12948612) is 2-oxatricyclo[3.2.1.01,3]octane.
What is the SMILES notation for 2-oxatricyclo[3.2.1.01,3]octane?
The canonical SMILES for 2-oxatricyclo[3.2.1.01,3]octane is C1CC23CC1CC2O3.
What is the InChIKey of 2-oxatricyclo[3.2.1.01,3]octane?
The InChIKey is KMSLECPFEPNZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-2-7-4-5(1)3-6(7)8-7/h5-6H,1-4H2.
What are the key properties of 2-oxatricyclo[3.2.1.01,3]octane?
2-oxatricyclo[3.2.1.01,3]octane has a molecular weight of 110.16 g/mol, XLogP of 1.33, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxatricyclo[3.2.1.01,3]octane is sourced from PubChem (CID 12948612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).