6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane

C9H14O2 — CID 45098405

IUPAC6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane
SMILESCCOC1CC2CC1C1OC21
InChIInChI=1S/C9H14O2/c1-2-10-7-4-5-3-6(7)9-8(5)11-9/h5-9H,2-4H2,1H3
InChIKeyDNKHUTSSAGDAIT-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.20
Rot. Bonds2

About 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane

6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane (PubChem CID 45098405) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane
PubChem CID45098405
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane
SMILESCCOC1CC2CC1C1OC21
InChIInChI=1S/C9H14O2/c1-2-10-7-4-5-3-6(7)9-8(5)11-9/h5-9H,2-4H2,1H3
InChIKeyDNKHUTSSAGDAIT-UHFFFAOYSA-N
XLogP1.20
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2S,4S,5R,6R)-3-oxatricyclo[3.2.1.02,4]octan-6-yl] acetate
CID 124920048
15-ethoxyoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene
CID 139711718
6-(2-methylpropyl)-3-oxatricyclo[3.2.1.02,4]octane
CID 158716874
(1R,2S,6S,7R)-9-ethoxytricyclo[5.2.1.02,6]dec-3-ene
CID 153454980
5-ethoxy-8-methyltricyclo[4.3.1.03,10]decane
CID 147357384
3-oxatricyclo[3.2.1.02,4]octan-6-yl but-3-enoate
CID 126683046
3-oxatricyclo[3.2.1.02,4]octan-6-ylmethanol
CID 23382653
(1R,2R,3S,6S,7R,9S)-9-ethoxytricyclo[5.2.1.02,6]dec-4-en-3-ol
CID 131019224
[(1R,2S,4R,5R,6R)-3-oxatricyclo[3.2.1.02,4]octan-6-yl]methanamine
CID 15190122
(3R,3aR,6R,6aS)-3,6-diethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 163360489
butyl (1R,2R,4R,5S,6R)-3-oxatricyclo[3.2.1.02,4]octane-6-carboxylate
CID 98156367
(1S,2R,4S,5S)-1,2,3,4,5-pentaethoxycyclohexane
CID 118346921

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane?
The IUPAC name of 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane (CID 45098405) is 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane is CCOC1CC2CC1C1OC21.
What is the InChIKey of 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane?
The InChIKey is DNKHUTSSAGDAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-10-7-4-5-3-6(7)9-8(5)11-9/h5-9H,2-4H2,1H3.
What are the key properties of 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane?
6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane has a molecular weight of 154.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-3-oxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 45098405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).