(6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone

C10H14O — CID 123486756

IUPAC(6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone
SMILESCC1(C)C2CCC(=C=O)C1C2
InChIInChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h8-9H,3-5H2,1-2H3
InChIKeyITUVWFOIUITLKJ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.20
Rot. Bonds

About (6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone

(6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone (PubChem CID 123486756) has the molecular formula C10H14O and a molecular weight of 150.22 g/mol. Its IUPAC name is (6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone.

Molecular Properties

Compound Name(6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone
PubChem CID123486756
Molecular FormulaC10H14O
Molecular Weight150.22 g/mol
Exact Mass150.10
IUPAC Name(6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone
SMILESCC1(C)C2CCC(=C=O)C1C2
InChIInChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h8-9H,3-5H2,1-2H3
InChIKeyITUVWFOIUITLKJ-UHFFFAOYSA-N
XLogP2.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-6,6-dimethylbicyclo[3.1.1]heptan-2-one
CID 58065052
(1R,5R)-2-(dideuterio(113C)methylidene)-6,6-dimethylbicyclo[3.1.1]heptane
CID 169445693
(E)-[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]hydrazine
CID 90476379
(5S)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;ethane;2-methylprop-2-enal
CID 144949863
7,7-dimethyl-2-oxabicyclo[4.1.1]octan-3-one
CID 71343638
(2-methylcyclopentylidene)methanone
CID 154126174
(1R,5R)-6,6-dimethylbicyclo[3.1.1]heptane
CID 91146278
(1R,5S)-6,6-dimethylbicyclo[3.1.1]heptan-2-one;[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]oxy-trimethylsilane
CID 158558064
(1R,3R,5R)-3-hydroxy-6,6-dimethylbicyclo[3.1.1]heptan-2-one
CID 51346405
6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptane;4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexane
CID 175675689
N-[(E)-[(1R,5R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene]amino]-4-methylbenzenesulfonamide
CID 98513345
(1S,4S)-7,7-dimethylbicyclo[2.2.1]heptane-2,3-dione
CID 98048147

Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone?
The IUPAC name of (6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone (CID 123486756) is (6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone.
What is the SMILES notation for (6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone?
The canonical SMILES for (6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone is CC1(C)C2CCC(=C=O)C1C2.
What is the InChIKey of (6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone?
The InChIKey is ITUVWFOIUITLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O/c1-10(2)8-4-3-7(6-11)9(10)5-8/h8-9H,3-5H2,1-2H3.
What are the key properties of (6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone?
(6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone has a molecular weight of 150.22 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-2-bicyclo[3.1.1]heptanylidene)methanone is sourced from PubChem (CID 123486756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).