(1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane

C11H18O — CID 54460128

IUPAC(1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane
SMILESC=C[C@@]12O[C@H](C[C@H]1C)CC2(C)C
InChIInChI=1S/C11H18O/c1-5-11-8(2)6-9(12-11)7-10(11,3)4/h5,8-9H,1,6-7H2,2-4H3/t8-,9-,11-/m1/s1
InChIKeyXBAWRQUYZJELDR-FXPVBKGRSA-N
MW166.26 g/mol
LogP2.77
Rot. Bonds1

About (1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane

(1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane (PubChem CID 54460128) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is (1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane
PubChem CID54460128
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name(1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane
SMILESC=C[C@@]12O[C@H](C[C@H]1C)CC2(C)C
InChIInChI=1S/C11H18O/c1-5-11-8(2)6-9(12-11)7-10(11,3)4/h5,8-9H,1,6-7H2,2-4H3/t8-,9-,11-/m1/s1
InChIKeyXBAWRQUYZJELDR-FXPVBKGRSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane?
The IUPAC name of (1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane (CID 54460128) is (1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane?
The canonical SMILES for (1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane is C=C[C@@]12O[C@H](C[C@H]1C)CC2(C)C.
What is the InChIKey of (1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane?
The InChIKey is XBAWRQUYZJELDR-FXPVBKGRSA-N. The full InChI is InChI=1S/C11H18O/c1-5-11-8(2)6-9(12-11)7-10(11,3)4/h5,8-9H,1,6-7H2,2-4H3/t8-,9-,11-/m1/s1.
What are the key properties of (1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane?
(1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane has a molecular weight of 166.26 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R,6R)-1-ethenyl-2,2,6-trimethyl-7-oxabicyclo[2.2.1]heptane is sourced from PubChem (CID 54460128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).