1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene

C11H18O2 — CID 150581000

IUPAC1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene
SMILESCOC12CC(C)(C)C(CC=C1C)O2
InChIInChI=1S/C11H18O2/c1-8-5-6-9-10(2,3)7-11(8,12-4)13-9/h5,9H,6-7H2,1-4H3
InChIKeyINVFAGHCUKBJRG-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.49
Rot. Bonds1

About 1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene

1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene (PubChem CID 150581000) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene.

Molecular Properties

Compound Name1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene
PubChem CID150581000
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene
SMILESCOC12CC(C)(C)C(CC=C1C)O2
InChIInChI=1S/C11H18O2/c1-8-5-6-9-10(2,3)7-11(8,12-4)13-9/h5,9H,6-7H2,1-4H3
InChIKeyINVFAGHCUKBJRG-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene?
The IUPAC name of 1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene (CID 150581000) is 1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene.
What is the SMILES notation for 1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene?
The canonical SMILES for 1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene is COC12CC(C)(C)C(CC=C1C)O2.
What is the InChIKey of 1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene?
The InChIKey is INVFAGHCUKBJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-8-5-6-9-10(2,3)7-11(8,12-4)13-9/h5,9H,6-7H2,1-4H3.
What are the key properties of 1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene?
1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene has a molecular weight of 182.26 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,6,6-trimethyl-8-oxabicyclo[3.2.1]oct-2-ene is sourced from PubChem (CID 150581000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).