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

C13H20O2 — CID 115798210

IUPAC3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
SMILESO=C(CCC1CCCC1)C1=COCCC1
InChIInChI=1S/C13H20O2/c14-13(12-6-3-9-15-10-12)8-7-11-4-1-2-5-11/h10-11H,1-9H2
InChIKeyYFASIKWRRYLLAF-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds4

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

3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one (PubChem CID 115798210) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
PubChem CID115798210
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one
SMILESO=C(CCC1CCCC1)C1=COCCC1
InChIInChI=1S/C13H20O2/c14-13(12-6-3-9-15-10-12)8-7-11-4-1-2-5-11/h10-11H,1-9H2
InChIKeyYFASIKWRRYLLAF-UHFFFAOYSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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

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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 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one?
The IUPAC name of 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one (CID 115798210) is 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one.
What is the SMILES notation for 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one?
The canonical SMILES for 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one is O=C(CCC1CCCC1)C1=COCCC1.
What is the InChIKey of 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one?
The InChIKey is YFASIKWRRYLLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-13(12-6-3-9-15-10-12)8-7-11-4-1-2-5-11/h10-11H,1-9H2.
What are the key properties of 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one?
3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one has a molecular weight of 208.30 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-one is sourced from PubChem (CID 115798210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).