2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone

C12H18O2 — CID 115798032

IUPAC2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
SMILESO=C(CC1CCCC1)C1=COCCC1
InChIInChI=1S/C12H18O2/c13-12(8-10-4-1-2-5-10)11-6-3-7-14-9-11/h9-10H,1-8H2
InChIKeyRRBOQAQDUQXLHD-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.83
Rot. Bonds3

About 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone

2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone (PubChem CID 115798032) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
PubChem CID115798032
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Name2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone
SMILESO=C(CC1CCCC1)C1=COCCC1
InChIInChI=1S/C12H18O2/c13-12(8-10-4-1-2-5-10)11-6-3-7-14-9-11/h9-10H,1-8H2
InChIKeyRRBOQAQDUQXLHD-UHFFFAOYSA-N
XLogP2.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

2-Cyclopentyl-3-methoxy-cyclohex-2-enone
CID 22260071
(6Z)-2-cyclopentyl-6-(hydroxymethylidene)-3-methoxycyclohex-2-en-1-one
CID 60127782
(6Z)-2-cyclopentyl-6-(hydroxymethylidene)-3-methoxy-5-methylcyclohex-2-en-1-one
CID 11218590
2-Cyclopentyl-3-methoxy-5-methylcyclohex-2-en-1-one
CID 12044632
3,5-Dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 13081492
2-Cyclohexyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090573
2-Butyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090578
(2S,3R)-2-butyl-3,5-dimethyl-2,3-dihydropyran-4-one
CID 14090579
2-Cyclopentyl-3-methoxy-4-methylcyclohex-2-en-1-one
CID 101169308
(2S,3S)-3,5-dimethyl-2-pentyl-2,3-dihydropyran-4-one
CID 101240152
(6Z)-2-cyclopentyl-6-(hydroxymethylidene)-3-methoxy-4-methylcyclohex-2-en-1-one
CID 135058839
3,4-dihydro-2H-pyran-5-yl-[3-(trifluoromethyl)cyclohexyl]methanone
CID 105127365

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone (CID 115798032) is 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone is O=C(CC1CCCC1)C1=COCCC1.
What is the InChIKey of 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone?
The InChIKey is RRBOQAQDUQXLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-12(8-10-4-1-2-5-10)11-6-3-7-14-9-11/h9-10H,1-8H2.
What are the key properties of 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone?
2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone has a molecular weight of 194.27 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)ethanone is sourced from PubChem (CID 115798032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).