3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene

C11H18O — CID 58930705

IUPAC3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene
SMILESCC1C2=C(C1C)C(C)(C)C(C)O2
InChIInChI=1S/C11H18O/c1-6-7(2)10-9(6)11(4,5)8(3)12-10/h6-8H,1-5H3
InChIKeyUIEWDIHSILQRJE-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.97
Rot. Bonds

About 3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene

3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene (PubChem CID 58930705) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene.

Molecular Properties

Compound Name3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene
PubChem CID58930705
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene
SMILESCC1C2=C(C1C)C(C)(C)C(C)O2
InChIInChI=1S/C11H18O/c1-6-7(2)10-9(6)11(4,5)8(3)12-10/h6-8H,1-5H3
InChIKeyUIEWDIHSILQRJE-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
The IUPAC name of 3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene (CID 58930705) is 3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene.
What is the SMILES notation for 3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
The canonical SMILES for 3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene is CC1C2=C(C1C)C(C)(C)C(C)O2.
What is the InChIKey of 3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
The InChIKey is UIEWDIHSILQRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-6-7(2)10-9(6)11(4,5)8(3)12-10/h6-8H,1-5H3.
What are the key properties of 3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene?
3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene has a molecular weight of 166.26 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,6,7-pentamethyl-2-oxabicyclo[3.2.0]hept-1(5)-ene is sourced from PubChem (CID 58930705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).