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

C12H18O2 — CID 115798002

IUPAC3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)C2=COCCC2)CCCC1
InChIInChI=1S/C12H18O2/c1-12(6-2-3-7-12)11(13)10-5-4-8-14-9-10/h9H,2-8H2,1H3
InChIKeyHJTFZQCIYRJSFF-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds2

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

3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanone (PubChem CID 115798002) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanone
PubChem CID115798002
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanone
SMILESCC1(C(=O)C2=COCCC2)CCCC1
InChIInChI=1S/C12H18O2/c1-12(6-2-3-7-12)11(13)10-5-4-8-14-9-10/h9H,2-8H2,1H3
InChIKeyHJTFZQCIYRJSFF-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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-methylcyclopentyl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanone (CID 115798002) is 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanone is CC1(C(=O)C2=COCCC2)CCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanone?
The InChIKey is HJTFZQCIYRJSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c1-12(6-2-3-7-12)11(13)10-5-4-8-14-9-10/h9H,2-8H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanone?
3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanone has a molecular weight of 194.27 g/mol, XLogP of 2.83, 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-(1-methylcyclopentyl)methanone is sourced from PubChem (CID 115798002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).