2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene

C11H16O3 — CID 20982130

IUPAC2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene
SMILESCOC1OC2C(OC)C3C=CCC1C32
InChIInChI=1S/C11H16O3/c1-12-9-6-4-3-5-7-8(6)10(9)14-11(7)13-2/h3-4,6-11H,5H2,1-2H3
InChIKeyVONWCSNSLYGUFU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.19
Rot. Bonds2

About 2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene

2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene (PubChem CID 20982130) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene.

Molecular Properties

Compound Name2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene
PubChem CID20982130
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene
SMILESCOC1OC2C(OC)C3C=CCC1C32
InChIInChI=1S/C11H16O3/c1-12-9-6-4-3-5-7-8(6)10(9)14-11(7)13-2/h3-4,6-11H,5H2,1-2H3
InChIKeyVONWCSNSLYGUFU-UHFFFAOYSA-N
XLogP1.19
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4aR,4bS,8aR,9aS)-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b][1]benzofuran
CID 14945367
(4aR,4bR,8aS,9aS)-3,4,4a,4b,5,8,8a,9a-octahydro-2H-pyrano[2,3-b][1]benzofuran
CID 14945368
(1s,5s,6s,8s,9s,10s)-6-Hydroxymethyl-2-methyl-7-oxatricyclo[6,1,1,0 5,10]dec-2-ene-8,9-diol
CID 129741809
8'-Methyl-6'-propoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 57111103
8'-Methyl-6'-(2-methylpropoxy)spiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 57125151
8'-Butyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 57126372
6'-Butoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 57189561
8'-Ethyl-6'-methoxyspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 57197840
6'-Ethoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 57224987
(1'R,6'S)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 70356636
6'-Methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 70356641
(1'S,6'R)-6'-methoxy-8'-methylspiro[1,3-dioxolane-2,7'-bicyclo[4.2.0]oct-2-ene]
CID 70356913

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene?
The IUPAC name of 2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene (CID 20982130) is 2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene.
What is the SMILES notation for 2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene?
The canonical SMILES for 2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene is COC1OC2C(OC)C3C=CCC1C32.
What is the InChIKey of 2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene?
The InChIKey is VONWCSNSLYGUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-12-9-6-4-3-5-7-8(6)10(9)14-11(7)13-2/h3-4,6-11H,5H2,1-2H3.
What are the key properties of 2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene?
2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene has a molecular weight of 196.25 g/mol, XLogP of 1.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-4-oxatricyclo[4.3.1.03,10]dec-8-ene is sourced from PubChem (CID 20982130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).