bis(1,2-dimethylcyclopropyl)methanone

C11H18O — CID 68522552

IUPACbis(1,2-dimethylcyclopropyl)methanone
SMILESCC1CC1(C)C(=O)C1(C)CC1C
InChIInChI=1S/C11H18O/c1-7-5-10(7,3)9(12)11(4)6-8(11)2/h7-8H,5-6H2,1-4H3
InChIKeyYCIGVALQYWWMLE-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.65
Rot. Bonds2

About bis(1,2-dimethylcyclopropyl)methanone

bis(1,2-dimethylcyclopropyl)methanone (PubChem CID 68522552) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is bis(1,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Namebis(1,2-dimethylcyclopropyl)methanone
PubChem CID68522552
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Namebis(1,2-dimethylcyclopropyl)methanone
SMILESCC1CC1(C)C(=O)C1(C)CC1C
InChIInChI=1S/C11H18O/c1-7-5-10(7,3)9(12)11(4)6-8(11)2/h7-8H,5-6H2,1-4H3
InChIKeyYCIGVALQYWWMLE-UHFFFAOYSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze bis(1,2-dimethylcyclopropyl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(1,2-dimethylcyclopropyl)methanone?
The IUPAC name of bis(1,2-dimethylcyclopropyl)methanone (CID 68522552) is bis(1,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for bis(1,2-dimethylcyclopropyl)methanone?
The canonical SMILES for bis(1,2-dimethylcyclopropyl)methanone is CC1CC1(C)C(=O)C1(C)CC1C.
What is the InChIKey of bis(1,2-dimethylcyclopropyl)methanone?
The InChIKey is YCIGVALQYWWMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-7-5-10(7,3)9(12)11(4)6-8(11)2/h7-8H,5-6H2,1-4H3.
What are the key properties of bis(1,2-dimethylcyclopropyl)methanone?
bis(1,2-dimethylcyclopropyl)methanone has a molecular weight of 166.26 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 68522552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).