methanol;7-oxabicyclo[4.1.0]hept-1(6)-ene

C7H12O2 — CID 175081265

IUPACmethanol;7-oxabicyclo[4.1.0]hept-1(6)-ene
SMILESC1CCC2=C(C1)O2.CO
InChIInChI=1S/C6H8O.CH4O/c1-2-4-6-5(3-1)7-6;1-2/h1-4H2;2H,1H3
InChIKeyFIRBAXMLLZTZRP-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.41
Rot. Bonds

About methanol;7-oxabicyclo[4.1.0]hept-1(6)-ene

methanol;7-oxabicyclo[4.1.0]hept-1(6)-ene (PubChem CID 175081265) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is methanol;7-oxabicyclo[4.1.0]hept-1(6)-ene.

Molecular Properties

Compound Namemethanol;7-oxabicyclo[4.1.0]hept-1(6)-ene
PubChem CID175081265
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Namemethanol;7-oxabicyclo[4.1.0]hept-1(6)-ene
SMILESC1CCC2=C(C1)O2.CO
InChIInChI=1S/C6H8O.CH4O/c1-2-4-6-5(3-1)7-6;1-2/h1-4H2;2H,1H3
InChIKeyFIRBAXMLLZTZRP-UHFFFAOYSA-N
XLogP1.41
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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9-cyclohexyl-2,3,4,5,6,7,8,9-octahydro-1H-xanthene
CID 13310304
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bis(cyclopentane);methanol
CID 160954606
cyclohexatriacontane;methanol
CID 159316819
cyclodotriacontane;methanol
CID 159486487
methanol;zinc
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3-methyl-2,3,5,6,7,8-hexahydro-1,4-benzodioxine
CID 59288348
3-methyl-3,4,5,6,7,8,9,10,11,12,13,14-dodecahydrocyclododeca[b]pyran-2-one
CID 21482422

Frequently Asked Questions

What is the IUPAC name of methanol;7-oxabicyclo[4.1.0]hept-1(6)-ene?
The IUPAC name of methanol;7-oxabicyclo[4.1.0]hept-1(6)-ene (CID 175081265) is methanol;7-oxabicyclo[4.1.0]hept-1(6)-ene.
What is the SMILES notation for methanol;7-oxabicyclo[4.1.0]hept-1(6)-ene?
The canonical SMILES for methanol;7-oxabicyclo[4.1.0]hept-1(6)-ene is C1CCC2=C(C1)O2.CO.
What is the InChIKey of methanol;7-oxabicyclo[4.1.0]hept-1(6)-ene?
The InChIKey is FIRBAXMLLZTZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O.CH4O/c1-2-4-6-5(3-1)7-6;1-2/h1-4H2;2H,1H3.
What are the key properties of methanol;7-oxabicyclo[4.1.0]hept-1(6)-ene?
methanol;7-oxabicyclo[4.1.0]hept-1(6)-ene has a molecular weight of 128.17 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;7-oxabicyclo[4.1.0]hept-1(6)-ene is sourced from PubChem (CID 175081265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).