8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane

C8H12O3 — CID 163552350

IUPAC8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane
SMILESCOC1C2C3OCCOC3C12
InChIInChI=1S/C8H12O3/c1-9-6-4-5(6)8-7(4)10-2-3-11-8/h4-8H,2-3H2,1H3
InChIKeyFKCWDVUCBMFLCH-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.05
Rot. Bonds1

About 8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane

8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane (PubChem CID 163552350) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane.

Molecular Properties

Compound Name8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane
PubChem CID163552350
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane
SMILESCOC1C2C3OCCOC3C12
InChIInChI=1S/C8H12O3/c1-9-6-4-5(6)8-7(4)10-2-3-11-8/h4-8H,2-3H2,1H3
InChIKeyFKCWDVUCBMFLCH-UHFFFAOYSA-N
XLogP0.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(3aR,5S,6S,6aR)-5-(1,3-dioxolan-2-yl)-6-methoxy-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
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CID 7168228
(3S,3aR,6S,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;(3R,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan;3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
CID 159029439
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CID 13002871
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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane?
The IUPAC name of 8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane (CID 163552350) is 8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane.
What is the SMILES notation for 8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane?
The canonical SMILES for 8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane is COC1C2C3OCCOC3C12.
What is the InChIKey of 8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane?
The InChIKey is FKCWDVUCBMFLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-9-6-4-5(6)8-7(4)10-2-3-11-8/h4-8H,2-3H2,1H3.
What are the key properties of 8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane?
8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane has a molecular weight of 156.18 g/mol, XLogP of 0.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2,5-dioxatricyclo[4.3.0.07,9]nonane is sourced from PubChem (CID 163552350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).