6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene

C13H18O2 — CID 101051432

IUPAC6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene
SMILESCOCC1=C(C2=CCCC2)C2CCOC12
InChIInChI=1S/C13H18O2/c1-14-8-11-12(9-4-2-3-5-9)10-6-7-15-13(10)11/h4,10,13H,2-3,5-8H2,1H3
InChIKeyFZCCPOGWAWXSNX-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.46
Rot. Bonds3

About 6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene

6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene (PubChem CID 101051432) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene.

Molecular Properties

Compound Name6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene
PubChem CID101051432
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene
SMILESCOCC1=C(C2=CCCC2)C2CCOC12
InChIInChI=1S/C13H18O2/c1-14-8-11-12(9-4-2-3-5-9)10-6-7-15-13(10)11/h4,10,13H,2-3,5-8H2,1H3
InChIKeyFZCCPOGWAWXSNX-UHFFFAOYSA-N
XLogP2.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium
CID 11058364
(6s,7Ar)-6-(1-methylethenyl)-2,3,5,6,7,7a-hexahydrobenzofuran
CID 21573621
Carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 134884838
Carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]tungsten
CID 135002834
Carbon monoxide;[[6-(cyclohexen-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium
CID 135003047
Carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
CID 135004760
Tetrahydrofuran, 3-isopropyl-2-(3-methylcyclopent-2-enyl)
CID 527239
6,11-Epoxyguaia-4,9-diene
CID 91747443
Srtkawynhrfnej-uhfffaoysa-
CID 44631602
5-Butyl-2-oxabicyclo[2.2.1]hept-5-ene
CID 22020027
5-Decyl-2-oxabicyclo[2.2.1]hept-5-ene
CID 22020029
5-Hexyl-2-oxabicyclo[2.2.1]hept-5-ene
CID 22020035

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene?
The IUPAC name of 6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene (CID 101051432) is 6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene.
What is the SMILES notation for 6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene?
The canonical SMILES for 6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene is COCC1=C(C2=CCCC2)C2CCOC12.
What is the InChIKey of 6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene?
The InChIKey is FZCCPOGWAWXSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-14-8-11-12(9-4-2-3-5-9)10-6-7-15-13(10)11/h4,10,13H,2-3,5-8H2,1H3.
What are the key properties of 6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene?
6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene has a molecular weight of 206.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopenten-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene is sourced from PubChem (CID 101051432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).