3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone

C13H18O2 — CID 11321703

IUPAC3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone
SMILESCC1(C)CC=C(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C13H18O2/c1-13(2)7-6-10(9-13)12(14)11-5-3-4-8-15-11/h5-6H,3-4,7-9H2,1-2H3
InChIKeyJERTZKIECZGJBQ-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.00
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone (PubChem CID 11321703) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone
PubChem CID11321703
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone
SMILESCC1(C)CC=C(C(=O)C2=CCCCO2)C1
InChIInChI=1S/C13H18O2/c1-13(2)7-6-10(9-13)12(14)11-5-3-4-8-15-11/h5-6H,3-4,7-9H2,1-2H3
InChIKeyJERTZKIECZGJBQ-UHFFFAOYSA-N
XLogP3.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)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 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone (CID 11321703) is 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone is CC1(C)CC=C(C(=O)C2=CCCCO2)C1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone?
The InChIKey is JERTZKIECZGJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-13(2)7-6-10(9-13)12(14)11-5-3-4-8-15-11/h5-6H,3-4,7-9H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone has a molecular weight of 206.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(4,4-dimethylcyclopenten-1-yl)methanone is sourced from PubChem (CID 11321703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).