3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene

C15H24O — CID 78385038

IUPAC3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
SMILESCC1=CCC(C)(C)C2OC2CC(C)=CCC1
InChIInChI=1S/C15H24O/c1-11-6-5-7-12(2)10-13-14(16-13)15(3,4)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3
InChIKeyWSIKWSKUPSHZMF-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.25
Rot. Bonds

About 3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene

3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene (PubChem CID 78385038) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene.

Molecular Properties

Compound Name3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
PubChem CID78385038
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
SMILESCC1=CCC(C)(C)C2OC2CC(C)=CCC1
InChIInChI=1S/C15H24O/c1-11-6-5-7-12(2)10-13-14(16-13)15(3,4)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3
InChIKeyWSIKWSKUPSHZMF-UHFFFAOYSA-N
XLogP4.25
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.25
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 3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
The IUPAC name of 3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene (CID 78385038) is 3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene.
What is the SMILES notation for 3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
The canonical SMILES for 3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene is CC1=CCC(C)(C)C2OC2CC(C)=CCC1.
What is the InChIKey of 3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
The InChIKey is WSIKWSKUPSHZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11-6-5-7-12(2)10-13-14(16-13)15(3,4)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3.
What are the key properties of 3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene?
3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene has a molecular weight of 220.36 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene is sourced from PubChem (CID 78385038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).