ethane;3-oxatricyclo[3.2.1.02,4]octane

C11H22O — CID 90949248

IUPACethane;3-oxatricyclo[3.2.1.02,4]octane
SMILESC1CC2CC1C1OC21.CC.CC
InChIInChI=1S/C7H10O.2C2H6/c1-2-5-3-4(1)6-7(5)8-6;2*1-2/h4-7H,1-3H2;2*1-2H3
InChIKeyPDLPSJVFISYDJC-UHFFFAOYSA-N
MW170.30 g/mol
LogP3.24
Rot. Bonds

About ethane;3-oxatricyclo[3.2.1.02,4]octane

ethane;3-oxatricyclo[3.2.1.02,4]octane (PubChem CID 90949248) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;3-oxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Nameethane;3-oxatricyclo[3.2.1.02,4]octane
PubChem CID90949248
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Nameethane;3-oxatricyclo[3.2.1.02,4]octane
SMILESC1CC2CC1C1OC21.CC.CC
InChIInChI=1S/C7H10O.2C2H6/c1-2-5-3-4(1)6-7(5)8-6;2*1-2/h4-7H,1-3H2;2*1-2H3
InChIKeyPDLPSJVFISYDJC-UHFFFAOYSA-N
XLogP3.24
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-oxatricyclo[3.2.1.02,4]octane?
The IUPAC name of ethane;3-oxatricyclo[3.2.1.02,4]octane (CID 90949248) is ethane;3-oxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for ethane;3-oxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for ethane;3-oxatricyclo[3.2.1.02,4]octane is C1CC2CC1C1OC21.CC.CC.
What is the InChIKey of ethane;3-oxatricyclo[3.2.1.02,4]octane?
The InChIKey is PDLPSJVFISYDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O.2C2H6/c1-2-5-3-4(1)6-7(5)8-6;2*1-2/h4-7H,1-3H2;2*1-2H3.
What are the key properties of ethane;3-oxatricyclo[3.2.1.02,4]octane?
ethane;3-oxatricyclo[3.2.1.02,4]octane has a molecular weight of 170.30 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-oxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 90949248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).