3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone

C13H20O2 — CID 115798101

IUPAC3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone
SMILESCCC1(C(=O)C2=COCCC2)CCCC1
InChIInChI=1S/C13H20O2/c1-2-13(7-3-4-8-13)12(14)11-6-5-9-15-10-11/h10H,2-9H2,1H3
InChIKeyWDHGWVGZIORHMX-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds3

About 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone

3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone (PubChem CID 115798101) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone
PubChem CID115798101
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone
SMILESCCC1(C(=O)C2=COCCC2)CCCC1
InChIInChI=1S/C13H20O2/c1-2-13(7-3-4-8-13)12(14)11-6-5-9-15-10-11/h10H,2-9H2,1H3
InChIKeyWDHGWVGZIORHMX-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)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

3,4-dihydro-2H-pyran-5-yl-(2-fluoro-1-methylcyclopropyl)methanone
CID 130855794
4,4a,5,6-tetrahydro-3H-cyclopenta[c]pyran-7-one
CID 54549475
1-[(1S,4aS,7aR)-1,4a,7,7-tetramethyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]ethanone
CID 59172353
(2Z)-4-ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one
CID 89910737
4-Ethyl-2-(methoxymethylidene)-4-methylcyclohexan-1-one
CID 123674093
3-Methyl-1-(3-propyloxolan-3-yl)but-3-en-2-one
CID 143526492
(2E)-4,4-dimethyl-2-[[11-methyl-10,10-di(propan-2-yl)dodecoxy]methylidene]cyclohexan-1-one
CID 149632450
(2E)-2-(10,10-dimethylundecoxymethylidene)-4,4-dimethylcyclohexan-1-one
CID 151511488
(2E)-4,4-dimethyl-2-(10,10,11,11-tetramethyldodecoxymethylidene)cyclohexan-1-one
CID 172710884
3-[3-(Cyclopentylidenemethoxy)propyl]-3-ethylcyclopentan-1-one
CID 176605296
1-[(4aS,7aR)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-yl]ethanone
CID 59954686
2-(3-Methoxypropyl)-2,4,4-trimethyl-5-methylidenecyclopentan-1-one
CID 71408491

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone (CID 115798101) is 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone is CCC1(C(=O)C2=COCCC2)CCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone?
The InChIKey is WDHGWVGZIORHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-2-13(7-3-4-8-13)12(14)11-6-5-9-15-10-11/h10H,2-9H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone?
3,4-dihydro-2H-pyran-5-yl-(1-ethylcyclopentyl)methanone has a molecular weight of 208.30 g/mol, XLogP of 3.22, 3 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-5-yl-(1-ethylcyclopentyl)methanone is sourced from PubChem (CID 115798101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).