8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one

C15H20O2 — CID 135365946

IUPAC8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one
SMILESCC1CC(=O)C2C3C=CC4(CCCC4CC12)O3
InChIInChI=1S/C15H20O2/c1-9-7-12(16)14-11(9)8-10-3-2-5-15(10)6-4-13(14)17-15/h4,6,9-11,13-14H,2-3,5,7-8H2,1H3
InChIKeyLOVMACOZHQGONA-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.73
Rot. Bonds

About 8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one

8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one (PubChem CID 135365946) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one.

Molecular Properties

Compound Name8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one
PubChem CID135365946
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one
SMILESCC1CC(=O)C2C3C=CC4(CCCC4CC12)O3
InChIInChI=1S/C15H20O2/c1-9-7-12(16)14-11(9)8-10-3-2-5-15(10)6-4-13(14)17-15/h4,6,9-11,13-14H,2-3,5,7-8H2,1H3
InChIKeyLOVMACOZHQGONA-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
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 8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one?
The IUPAC name of 8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one (CID 135365946) is 8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one.
What is the SMILES notation for 8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one?
The canonical SMILES for 8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one is CC1CC(=O)C2C3C=CC4(CCCC4CC12)O3.
What is the InChIKey of 8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one?
The InChIKey is LOVMACOZHQGONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9-7-12(16)14-11(9)8-10-3-2-5-15(10)6-4-13(14)17-15/h4,6,9-11,13-14H,2-3,5,7-8H2,1H3.
What are the key properties of 8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one?
8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one has a molecular weight of 232.32 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-15-oxatetracyclo[10.2.1.01,5.07,11]pentadec-13-en-10-one is sourced from PubChem (CID 135365946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).