8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one

C11H16O2 — CID 15550443

IUPAC8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one
SMILESC=C1C(=O)C2(C)CCCC1C2OC
InChIInChI=1S/C11H16O2/c1-7-8-5-4-6-11(2,9(7)12)10(8)13-3/h8,10H,1,4-6H2,2-3H3
InChIKeyZPAYTTOWYMMINI-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.95
Rot. Bonds1

About 8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one

8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one (PubChem CID 15550443) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one.

Molecular Properties

Compound Name8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one
PubChem CID15550443
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one
SMILESC=C1C(=O)C2(C)CCCC1C2OC
InChIInChI=1S/C11H16O2/c1-7-8-5-4-6-11(2,9(7)12)10(8)13-3/h8,10H,1,4-6H2,2-3H3
InChIKeyZPAYTTOWYMMINI-UHFFFAOYSA-N
XLogP1.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one?
The IUPAC name of 8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one (CID 15550443) is 8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one.
What is the SMILES notation for 8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one?
The canonical SMILES for 8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one is C=C1C(=O)C2(C)CCCC1C2OC.
What is the InChIKey of 8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one?
The InChIKey is ZPAYTTOWYMMINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-8-5-4-6-11(2,9(7)12)10(8)13-3/h8,10H,1,4-6H2,2-3H3.
What are the key properties of 8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one?
8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one has a molecular weight of 180.25 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-7-methylidenebicyclo[3.2.1]octan-6-one is sourced from PubChem (CID 15550443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).