1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one

C11H16O — CID 14706860

IUPAC1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one
SMILESC=C1C2CCC1(C)C(=O)CC2C
InChIInChI=1S/C11H16O/c1-7-6-10(12)11(3)5-4-9(7)8(11)2/h7,9H,2,4-6H2,1,3H3
InChIKeyYAXNPHBCCNHFOM-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.57
Rot. Bonds

About 1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one

1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one (PubChem CID 14706860) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is 1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one.

Molecular Properties

Compound Name1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one
PubChem CID14706860
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one
SMILESC=C1C2CCC1(C)C(=O)CC2C
InChIInChI=1S/C11H16O/c1-7-6-10(12)11(3)5-4-9(7)8(11)2/h7,9H,2,4-6H2,1,3H3
InChIKeyYAXNPHBCCNHFOM-UHFFFAOYSA-N
XLogP2.57
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-dimethyl-8-methylidene-2-oxabicyclo[3.2.1]octane
CID 15560143
(1R,3aR,5S,5aR,8S,8aR,8bR)-1,3a,8-trihydroxy-5,8-dimethyl-2-methylidene-1,4,5,5a,6,7,8a,8b-octahydroacenaphthylen-3-one
CID 51042634
1,1,3-trimethyl-2-methylidenecyclopentane
CID 102022448
1,4,7-trimethylbicyclo[3.2.1]oct-6-en-8-one
CID 121221889
(1R,4R)-1,5-dimethylbicyclo[2.2.2]octan-2-one
CID 130834339
1,8-dimethylbicyclo[2.2.2]octane-2,5-dione
CID 15113068
(4R,7S)-1,2-dimethyl-9-methylidene-5-oxatricyclo[5.2.2.04,8]undecan-6-one
CID 135041010
5-ethenyl-2-methylbicyclo[3.2.0]heptan-6-one
CID 14062851
(7R,13S)-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
CID 70793162
(1R,4S)-7-chloro-1-methylbicyclo[2.2.1]heptan-2-one
CID 131025350
3-methyl-6-methylidenepiperazine-2,5-dione
CID 45117239
(1R,5S)-4,5-dimethyl-3-methylidenebicyclo[3.2.0]heptan-6-one
CID 130922997

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one?
The IUPAC name of 1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one (CID 14706860) is 1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one.
What is the SMILES notation for 1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one?
The canonical SMILES for 1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one is C=C1C2CCC1(C)C(=O)CC2C.
What is the InChIKey of 1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one?
The InChIKey is YAXNPHBCCNHFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O/c1-7-6-10(12)11(3)5-4-9(7)8(11)2/h7,9H,2,4-6H2,1,3H3.
What are the key properties of 1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one?
1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one has a molecular weight of 164.25 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-8-methylidenebicyclo[3.2.1]octan-2-one is sourced from PubChem (CID 14706860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).