14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one

C15H20O2 — CID 14166754

IUPAC14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one
SMILESCC1(C)C2CC=C3C(=O)OCC4CCC1C34C2
InChIInChI=1S/C15H20O2/c1-14(2)9-3-5-11-13(16)17-8-10-4-6-12(14)15(10,11)7-9/h5,9-10,12H,3-4,6-8H2,1-2H3
InChIKeyADOYHGWXKOUPHN-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.93
Rot. Bonds

About 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one

14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one (PubChem CID 14166754) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one.

Molecular Properties

Compound Name14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one
PubChem CID14166754
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one
SMILESCC1(C)C2CC=C3C(=O)OCC4CCC1C34C2
InChIInChI=1S/C15H20O2/c1-14(2)9-3-5-11-13(16)17-8-10-4-6-12(14)15(10,11)7-9/h5,9-10,12H,3-4,6-8H2,1-2H3
InChIKeyADOYHGWXKOUPHN-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one?
The IUPAC name of 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one (CID 14166754) is 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one.
What is the SMILES notation for 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one?
The canonical SMILES for 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one is CC1(C)C2CC=C3C(=O)OCC4CCC1C34C2.
What is the InChIKey of 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one?
The InChIKey is ADOYHGWXKOUPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-14(2)9-3-5-11-13(16)17-8-10-4-6-12(14)15(10,11)7-9/h5,9-10,12H,3-4,6-8H2,1-2H3.
What are the key properties of 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one?
14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one has a molecular weight of 232.32 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-5-one is sourced from PubChem (CID 14166754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).