6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane

C9H14O3 — CID 22123812

IUPAC6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane
SMILESCOC1C2CC(C1OC)C1OC21
InChIInChI=1S/C9H14O3/c1-10-6-4-3-5(7(6)11-2)9-8(4)12-9/h4-9H,3H2,1-2H3
InChIKeyILJPVWNVBYIOIP-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.43
Rot. Bonds2

About 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane

6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane (PubChem CID 22123812) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane
PubChem CID22123812
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane
SMILESCOC1C2CC(C1OC)C1OC21
InChIInChI=1S/C9H14O3/c1-10-6-4-3-5(7(6)11-2)9-8(4)12-9/h4-9H,3H2,1-2H3
InChIKeyILJPVWNVBYIOIP-UHFFFAOYSA-N
XLogP0.43
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11,12-dimethoxy-15-oxahexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-4-ene
CID 139828915
(1R,2S,4R,5R,7S,9S)-8-methoxytetracyclo[7.1.0.02,4.05,7]decane
CID 98557846
7-methoxy-3-oxatricyclo[3.3.1.02,4]nonane
CID 154978917
3-oxa-7-thiatetracyclo[3.3.1.02,4.06,8]nonane
CID 45120374
(1S,2S,3R,4S,5R,6S)-5-methoxy-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
CID 130831191
(2S)-4-methoxy-2,6-dimethyloxane
CID 142449204
1,3,5-trimethoxycyclohexane
CID 547415
(1R,2R,4R,5S)-2,4-dimethoxy-3,6-dioxabicyclo[3.1.0]hexane
CID 129368437
16-methoxy-19-oxaoctacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docos-6-ene-15-carbonitrile
CID 139828937
6,7-bis(chloromethyl)-3-oxatricyclo[3.2.1.02,4]octane
CID 130003825
8,9-dimethoxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 58868408
(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044476

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane?
The IUPAC name of 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane (CID 22123812) is 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane is COC1C2CC(C1OC)C1OC21.
What is the InChIKey of 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane?
The InChIKey is ILJPVWNVBYIOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-10-6-4-3-5(7(6)11-2)9-8(4)12-9/h4-9H,3H2,1-2H3.
What are the key properties of 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane?
6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane has a molecular weight of 170.21 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-oxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 22123812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).