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

C13H20O2 — CID 107187417

IUPAC3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)C1=COCCC1
InChIInChI=1S/C13H20O2/c1-13(2)7-3-6-11(13)12(14)10-5-4-8-15-9-10/h9,11H,3-8H2,1-2H3
InChIKeyRNUITIZCHMWBLX-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.08
Rot. Bonds2

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

3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopentyl)methanone (PubChem CID 107187417) 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-(2,2-dimethylcyclopentyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopentyl)methanone
PubChem CID107187417
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopentyl)methanone
SMILESCC1(C)CCCC1C(=O)C1=COCCC1
InChIInChI=1S/C13H20O2/c1-13(2)7-3-6-11(13)12(14)10-5-4-8-15-9-10/h9,11H,3-8H2,1-2H3
InChIKeyRNUITIZCHMWBLX-UHFFFAOYSA-N
XLogP3.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7a-(2-Methoxy-ethyl)-1-methyl-1,2,3,6,7,7a-hexahydro-inden-5-one
CID 14467503
(5R,6R)-8-ethoxy-6-methyl-3-propan-2-ylidenespiro[4.5]dec-8-en-10-one
CID 134905091
1-[(1S,4aS,7aR)-1,4a,7,7-tetramethyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-4-yl]ethanone
CID 59172353
1-[(4aS,7aR)-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-id-4-yl]ethanone;yttrium
CID 59954685
(2E)-4,4-dimethyl-2-[[11-methyl-10,10-di(propan-2-yl)dodecoxy]methylidene]cyclohexan-1-one
CID 149632450
(2E)-4,4-dimethyl-2-(10,10,11,11-tetramethyldodecoxymethylidene)cyclohexan-1-one
CID 172710884
(1R,4S,5S)-1-methyl-10-propan-2-yloxy-4-prop-1-en-2-ylspiro[4.5]dec-9-en-8-one
CID 23253122
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
1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-one
CID 104058234
cyclohexyl(3,4-dihydro-2H-pyran-5-yl)methanone
CID 104058244
1-(3,4-dihydro-2H-pyran-5-yl)-2,2-dimethylpropan-1-one
CID 104058248

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopentyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopentyl)methanone (CID 107187417) is 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopentyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopentyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopentyl)methanone is CC1(C)CCCC1C(=O)C1=COCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopentyl)methanone?
The InChIKey is RNUITIZCHMWBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-13(2)7-3-6-11(13)12(14)10-5-4-8-15-9-10/h9,11H,3-8H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopentyl)methanone?
3,4-dihydro-2H-pyran-5-yl-(2,2-dimethylcyclopentyl)methanone has a molecular weight of 208.30 g/mol, XLogP of 3.08, 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-5-yl-(2,2-dimethylcyclopentyl)methanone is sourced from PubChem (CID 107187417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).