7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene

C12H16O — CID 102093635

IUPAC7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene
SMILESC=C1C(C)C2C=CC3(CCCC13)O2
InChIInChI=1S/C12H16O/c1-8-9(2)11-5-7-12(13-11)6-3-4-10(8)12/h5,7,9-11H,1,3-4,6H2,2H3
InChIKeyUIPLFKWYVFQMTL-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.69
Rot. Bonds

About 7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene

7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene (PubChem CID 102093635) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene.

Molecular Properties

Compound Name7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene
PubChem CID102093635
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene
SMILESC=C1C(C)C2C=CC3(CCCC13)O2
InChIInChI=1S/C12H16O/c1-8-9(2)11-5-7-12(13-11)6-3-4-10(8)12/h5,7,9-11H,1,3-4,6H2,2H3
InChIKeyUIPLFKWYVFQMTL-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.69
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 7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene?
The IUPAC name of 7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene (CID 102093635) is 7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene.
What is the SMILES notation for 7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene?
The canonical SMILES for 7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene is C=C1C(C)C2C=CC3(CCCC13)O2.
What is the InChIKey of 7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene?
The InChIKey is UIPLFKWYVFQMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-8-9(2)11-5-7-12(13-11)6-3-4-10(8)12/h5,7,9-11H,1,3-4,6H2,2H3.
What are the key properties of 7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene?
7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene has a molecular weight of 176.26 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-methylidene-11-oxatricyclo[6.2.1.01,5]undec-9-ene is sourced from PubChem (CID 102093635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).