6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane

C15H24O — CID 535269

IUPAC6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane
SMILESCC1CCCC23OC2CC2C(C2(C)C)C13C
InChIInChI=1S/C15H24O/c1-9-6-5-7-15-11(16-15)8-10-12(13(10,2)3)14(9,15)4/h9-12H,5-8H2,1-4H3
InChIKeyWDIRTEJWYGLLSB-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.63
Rot. Bonds

About 6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane

6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane (PubChem CID 535269) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane.

Molecular Properties

Compound Name6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane
PubChem CID535269
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane
SMILESCC1CCCC23OC2CC2C(C2(C)C)C13C
InChIInChI=1S/C15H24O/c1-9-6-5-7-15-11(16-15)8-10-12(13(10,2)3)14(9,15)4/h9-12H,5-8H2,1-4H3
InChIKeyWDIRTEJWYGLLSB-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane?
The IUPAC name of 6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane (CID 535269) is 6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane.
What is the SMILES notation for 6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane?
The canonical SMILES for 6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane is CC1CCCC23OC2CC2C(C2(C)C)C13C.
What is the InChIKey of 6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane?
The InChIKey is WDIRTEJWYGLLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-9-6-5-7-15-11(16-15)8-10-12(13(10,2)3)14(9,15)4/h9-12H,5-8H2,1-4H3.
What are the key properties of 6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane?
6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane has a molecular weight of 220.36 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,8,9-tetramethyl-2-oxatetracyclo[6.4.0.01,3.05,7]dodecane is sourced from PubChem (CID 535269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).