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

C14H20O2 — CID 101051434

IUPAC6-(cyclohexen-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene
SMILESCOCC1=C(C2=CCCCC2)C2CCOC12
InChIInChI=1S/C14H20O2/c1-15-9-12-13(10-5-3-2-4-6-10)11-7-8-16-14(11)12/h5,11,14H,2-4,6-9H2,1H3
InChIKeyMGCQXECDOVAZHL-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.85
Rot. Bonds3

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

6-(cyclohexen-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene (PubChem CID 101051434) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 6-(cyclohexen-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene.

Molecular Properties

Compound Name6-(cyclohexen-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene
PubChem CID101051434
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name6-(cyclohexen-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene
SMILESCOCC1=C(C2=CCCCC2)C2CCOC12
InChIInChI=1S/C14H20O2/c1-15-9-12-13(10-5-3-2-4-6-10)11-7-8-16-14(11)12/h5,11,14H,2-4,6-9H2,1H3
InChIKeyMGCQXECDOVAZHL-UHFFFAOYSA-N
XLogP2.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bisabolene oxide
CID 56842615
(2S,4S,5R)-4,8-dimethyl-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
CID 162941234
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;[[7-(cyclohexen-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]chromium
CID 135002848
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
(1R,3aR,7aR)-1-[(E)-but-2-en-2-yl]-3,3,6-trimethyl-3a,4,5,7a-tetrahydro-1H-2-benzofuran
CID 21603105
Srtkawynhrfnej-uhfffaoysa-
CID 44631602
(2R,5R)-8-methyl-4-methylidene-2-(2-methylprop-1-enyl)-1-oxaspiro[4.5]dec-7-ene
CID 163058112

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene?
The IUPAC name of 6-(cyclohexen-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene (CID 101051434) is 6-(cyclohexen-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene.
What is the SMILES notation for 6-(cyclohexen-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene?
The canonical SMILES for 6-(cyclohexen-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene is COCC1=C(C2=CCCCC2)C2CCOC12.
What is the InChIKey of 6-(cyclohexen-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene?
The InChIKey is MGCQXECDOVAZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-15-9-12-13(10-5-3-2-4-6-10)11-7-8-16-14(11)12/h5,11,14H,2-4,6-9H2,1H3.
What are the key properties of 6-(cyclohexen-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene?
6-(cyclohexen-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene has a molecular weight of 220.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexen-1-yl)-7-(methoxymethyl)-2-oxabicyclo[3.2.0]hept-6-ene is sourced from PubChem (CID 101051434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).