1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one

C15H22O — CID 162902040

IUPAC1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one
SMILESC=C1CCC2(C)C(=O)C1C1(C)CCCC21C
InChIInChI=1S/C15H22O/c1-10-6-9-14(3)12(16)11(10)13(2)7-5-8-15(13,14)4/h11H,1,5-9H2,2-4H3
InChIKeyGSLXPYMFRFKNCG-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.74
Rot. Bonds

About 1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one

1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one (PubChem CID 162902040) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one.

Molecular Properties

Compound Name1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one
PubChem CID162902040
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one
SMILESC=C1CCC2(C)C(=O)C1C1(C)CCCC21C
InChIInChI=1S/C15H22O/c1-10-6-9-14(3)12(16)11(10)13(2)7-5-8-15(13,14)4/h11H,1,5-9H2,2-4H3
InChIKeyGSLXPYMFRFKNCG-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one?
The IUPAC name of 1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one (CID 162902040) is 1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one.
What is the SMILES notation for 1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one?
The canonical SMILES for 1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one is C=C1CCC2(C)C(=O)C1C1(C)CCCC21C.
What is the InChIKey of 1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one?
The InChIKey is GSLXPYMFRFKNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-10-6-9-14(3)12(16)11(10)13(2)7-5-8-15(13,14)4/h11H,1,5-9H2,2-4H3.
What are the key properties of 1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one?
1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one has a molecular weight of 218.34 g/mol, XLogP of 3.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,6-trimethyl-8-methylidenetricyclo[5.3.1.02,6]undecan-11-one is sourced from PubChem (CID 162902040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).