cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone

C13H20O2 — CID 102646907

IUPACcycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCCCCC1
InChIInChI=1S/C13H20O2/c14-13(12-9-5-6-10-15-12)11-7-3-1-2-4-8-11/h9,11H,1-8,10H2
InChIKeyOGPZSEFKKPQYBG-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.22
Rot. Bonds2

About cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone

cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102646907) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Namecycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102646907
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Namecycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCCCCC1
InChIInChI=1S/C13H20O2/c14-13(12-9-5-6-10-15-12)11-7-3-1-2-4-8-11/h9,11H,1-8,10H2
InChIKeyOGPZSEFKKPQYBG-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646809
cycloheptyl(2,3-dihydrofuran-5-yl)methanone
CID 102650976
azepan-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 71926691
3,4-dihydro-2H-pyran-6-yl-[(5R)-5-prop-1-en-2-ylcyclohexen-1-yl]methanone
CID 135078289
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone
CID 106829748
1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648557
(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648583
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102648313
3,4-dihydro-2H-pyran-6-carboxylic acid;2,2,2-trifluoroacetic acid
CID 67633900
3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone
CID 102647062
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-cycloheptylmethanone
CID 62587037
3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanone
CID 102646988

Frequently Asked Questions

What is the IUPAC name of cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102646907) is cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)C1CCCCCC1.
What is the InChIKey of cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is OGPZSEFKKPQYBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-13(12-9-5-6-10-15-12)11-7-3-1-2-4-8-11/h9,11H,1-8,10H2.
What are the key properties of cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone?
cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 208.30 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102646907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).