14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-7-one

C15H20O2 — CID 14166766

IUPAC14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-7-one
SMILESCC1(C)C2CC=C3COC(=O)C4CCC1C34C2
InChIInChI=1S/C15H20O2/c1-14(2)9-3-4-10-8-17-13(16)11-5-6-12(14)15(10,11)7-9/h4,9,11-12H,3,5-8H2,1-2H3
InChIKeyYJKLCFCKGAYFME-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-7-one

14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-7-one (PubChem CID 14166766) 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-7-one.

Molecular Properties

Compound Name14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-7-one
PubChem CID14166766
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-7-one
SMILESCC1(C)C2CC=C3COC(=O)C4CCC1C34C2
InChIInChI=1S/C15H20O2/c1-14(2)9-3-4-10-8-17-13(16)11-5-6-12(14)15(10,11)7-9/h4,9,11-12H,3,5-8H2,1-2H3
InChIKeyYJKLCFCKGAYFME-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

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 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-7-one?
The IUPAC name of 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-7-one (CID 14166766) is 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-7-one.
What is the SMILES notation for 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-7-one?
The canonical SMILES for 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-7-one is CC1(C)C2CC=C3COC(=O)C4CCC1C34C2.
What is the InChIKey of 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-7-one?
The InChIKey is YJKLCFCKGAYFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-14(2)9-3-4-10-8-17-13(16)11-5-6-12(14)15(10,11)7-9/h4,9,11-12H,3,5-8H2,1-2H3.
What are the key properties of 14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-7-one?
14,14-dimethyl-6-oxatetracyclo[9.2.1.04,12.08,12]tetradec-3-en-7-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-7-one is sourced from PubChem (CID 14166766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).