7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene

C14H20O2 — CID 101051433

IUPAC7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene
SMILESCOCC1=C(C2=CCCC2)C2CCCOC12
InChIInChI=1S/C14H20O2/c1-15-9-12-13(10-5-2-3-6-10)11-7-4-8-16-14(11)12/h5,11,14H,2-4,6-9H2,1H3
InChIKeyCMXMVNNJFREKIU-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.85
Rot. Bonds3

About 7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene

7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene (PubChem CID 101051433) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene.

Molecular Properties

Compound Name7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene
PubChem CID101051433
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene
SMILESCOCC1=C(C2=CCCC2)C2CCCOC12
InChIInChI=1S/C14H20O2/c1-15-9-12-13(10-5-2-3-6-10)11-7-4-8-16-14(11)12/h5,11,14H,2-4,6-9H2,1H3
InChIKeyCMXMVNNJFREKIU-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

8-Fluoro-3,7-dimethyl-2,3,4,4a,5,8,9,9b-octahydroindeno[1,2-b]pyran
CID 71170245
Carbon monoxide;[[6-(cyclopenten-1-yl)-2-oxabicyclo[3.2.0]hept-6-en-7-yl]-methoxymethylidene]chromium
CID 11058364
carbon monoxide;[methoxy-[7-[(E)-4-prop-2-enoxybut-2-en-2-yl]-2-oxabicyclo[4.2.0]oct-7-en-8-yl]methylidene]chromium
CID 11102473
(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
(1R,6R)-8-(methoxymethyl)-1-propan-2-yloxybicyclo[4.2.2]deca-7,9-diene
CID 134982976
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;[methoxy-(7-prop-1-en-2-yl-2-oxabicyclo[4.2.0]oct-7-en-8-yl)methylidene]tungsten
CID 135004187
Carbon monoxide;[[7-(cyclopenten-1-yl)-2-oxabicyclo[4.2.0]oct-7-en-8-yl]-methoxymethylidene]tungsten
CID 135004760
Srtkawynhrfnej-uhfffaoysa-
CID 44631602

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene?
The IUPAC name of 7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene (CID 101051433) is 7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene.
What is the SMILES notation for 7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene?
The canonical SMILES for 7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene is COCC1=C(C2=CCCC2)C2CCCOC12.
What is the InChIKey of 7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene?
The InChIKey is CMXMVNNJFREKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-15-9-12-13(10-5-2-3-6-10)11-7-4-8-16-14(11)12/h5,11,14H,2-4,6-9H2,1H3.
What are the key properties of 7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene?
7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-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 7-(cyclopenten-1-yl)-8-(methoxymethyl)-2-oxabicyclo[4.2.0]oct-7-ene is sourced from PubChem (CID 101051433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).