6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane

C10H14O — CID 85176276

IUPAC6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane
SMILESC=C1C2CC(C3OC23)C1(C)C
InChIInChI=1S/C10H14O/c1-5-6-4-7(10(5,2)3)9-8(6)11-9/h6-9H,1,4H2,2-3H3
InChIKeyWTOMBLUDHVCLBZ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.99
Rot. Bonds

About 6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane

6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane (PubChem CID 85176276) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is 6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane.

Molecular Properties

Compound Name6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane
PubChem CID85176276
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane
SMILESC=C1C2CC(C3OC23)C1(C)C
InChIInChI=1S/C10H14O/c1-5-6-4-7(10(5,2)3)9-8(6)11-9/h6-9H,1,4H2,2-3H3
InChIKeyWTOMBLUDHVCLBZ-UHFFFAOYSA-N
XLogP1.99
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane?
The IUPAC name of 6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane (CID 85176276) is 6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane.
What is the SMILES notation for 6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane?
The canonical SMILES for 6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane is C=C1C2CC(C3OC23)C1(C)C.
What is the InChIKey of 6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane?
The InChIKey is WTOMBLUDHVCLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-5-6-4-7(10(5,2)3)9-8(6)11-9/h6-9H,1,4H2,2-3H3.
What are the key properties of 6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane?
6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane has a molecular weight of 150.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-7-methylidene-3-oxatricyclo[3.2.1.02,4]octane is sourced from PubChem (CID 85176276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).