1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene

C13H22O2 — CID 100957906

IUPAC1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene
SMILESCOCC1=C(C(C)C)C2CCCC12OC
InChIInChI=1S/C13H22O2/c1-9(2)12-10-6-5-7-13(10,15-4)11(12)8-14-3/h9-10H,5-8H2,1-4H3
InChIKeyZGJRROUOYIZHMW-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.78
Rot. Bonds4

About 1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene

1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene (PubChem CID 100957906) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene.

Molecular Properties

Compound Name1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene
PubChem CID100957906
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene
SMILESCOCC1=C(C(C)C)C2CCCC12OC
InChIInChI=1S/C13H22O2/c1-9(2)12-10-6-5-7-13(10,15-4)11(12)8-14-3/h9-10H,5-8H2,1-4H3
InChIKeyZGJRROUOYIZHMW-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,5S)-6,7-bis(methoxymethyl)bicyclo[3.2.0]hept-6-ene
CID 101502254
3-(Methoxymethyl)-6-[(2-methylpropan-2-yl)oxymethyl]bicyclo[3.2.0]hept-6-ene
CID 166750167
[[7-(Cyclopenten-1-yl)-5-methoxy-6-bicyclo[3.2.0]hept-6-enyl]-methoxymethylidene]chromium
CID 12039719
3-Methoxy-2-(methoxymethyl)-3-methyl-1-propan-2-ylcyclobutene
CID 100957877
Tert-butyl-[[7-(methoxymethyl)-6-methyl-1-bicyclo[3.2.0]hept-6-enyl]oxy]-dimethylsilane
CID 100957903
[1-Methoxy-7-(methoxymethyl)-6-bicyclo[3.2.0]hept-6-enyl]-trimethylsilane
CID 100957904
1-Methoxy-7-(methoxymethyl)-6-methylbicyclo[3.2.0]hept-6-ene
CID 100957905
6-Tert-butyl-1-methoxy-7-(methoxymethyl)bicyclo[3.2.0]hept-6-ene
CID 100957907

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene?
The IUPAC name of 1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene (CID 100957906) is 1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene.
What is the SMILES notation for 1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene?
The canonical SMILES for 1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene is COCC1=C(C(C)C)C2CCCC12OC.
What is the InChIKey of 1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene?
The InChIKey is ZGJRROUOYIZHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-9(2)12-10-6-5-7-13(10,15-4)11(12)8-14-3/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene?
1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene has a molecular weight of 210.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-7-(methoxymethyl)-6-propan-2-ylbicyclo[3.2.0]hept-6-ene is sourced from PubChem (CID 100957906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).