2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene

C11H14O — CID 118934139

IUPAC2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene
SMILESCC12C=CC=CC1C1CCC2O1
InChIInChI=1S/C11H14O/c1-11-7-3-2-4-8(11)9-5-6-10(11)12-9/h2-4,7-10H,5-6H2,1H3
InChIKeyYGSIMRKGHUHORC-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.30
Rot. Bonds

About 2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene

2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene (PubChem CID 118934139) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene.

Molecular Properties

Compound Name2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene
PubChem CID118934139
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene
SMILESCC12C=CC=CC1C1CCC2O1
InChIInChI=1S/C11H14O/c1-11-7-3-2-4-8(11)9-5-6-10(11)12-9/h2-4,7-10H,5-6H2,1H3
InChIKeyYGSIMRKGHUHORC-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene?
The IUPAC name of 2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene (CID 118934139) is 2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene.
What is the SMILES notation for 2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene?
The canonical SMILES for 2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene is CC12C=CC=CC1C1CCC2O1.
What is the InChIKey of 2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene?
The InChIKey is YGSIMRKGHUHORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-11-7-3-2-4-8(11)9-5-6-10(11)12-9/h2-4,7-10H,5-6H2,1H3.
What are the key properties of 2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene?
2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene has a molecular weight of 162.23 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-11-oxatricyclo[6.2.1.02,7]undeca-3,5-diene is sourced from PubChem (CID 118934139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).