cis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one

C11H20O — CID 12861280

IUPACcis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one
SMILESCCCCC[C@@H]1C(=O)CC[C@H]1C
InChIInChI=1S/C11H20O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyZISGOYMWXFOWAM-ZJUUUORDSA-N
MW168.28 g/mol
LogP3.18
Rot. Bonds4

About cis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one

cis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one (PubChem CID 12861280) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is cis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one.

Molecular Properties

Compound Namecis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one
PubChem CID12861280
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Namecis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one
SMILESCCCCC[C@@H]1C(=O)CC[C@H]1C
InChIInChI=1S/C11H20O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1
InChIKeyZISGOYMWXFOWAM-ZJUUUORDSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one 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 cis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one?
The IUPAC name of cis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one (CID 12861280) is cis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one.
What is the SMILES notation for cis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one?
The canonical SMILES for cis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one is CCCCC[C@@H]1C(=O)CC[C@H]1C.
What is the InChIKey of cis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one?
The InChIKey is ZISGOYMWXFOWAM-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20O/c1-3-4-5-6-10-9(2)7-8-11(10)12/h9-10H,3-8H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of cis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one?
cis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one has a molecular weight of 168.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3R)-3-methyl-2-pentylcyclopentan-1-one is sourced from PubChem (CID 12861280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).