cycloheptyl(oxolan-3-yl)methanone

C12H20O2 — CID 65399453

IUPACcycloheptyl(oxolan-3-yl)methanone
SMILESO=C(C1CCCCCC1)C1CCOC1
InChIInChI=1S/C12H20O2/c13-12(11-7-8-14-9-11)10-5-3-1-2-4-6-10/h10-11H,1-9H2
InChIKeyHLIVVFYQIVYOAC-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.56
Rot. Bonds2

About cycloheptyl(oxolan-3-yl)methanone

cycloheptyl(oxolan-3-yl)methanone (PubChem CID 65399453) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is cycloheptyl(oxolan-3-yl)methanone.

Molecular Properties

Compound Namecycloheptyl(oxolan-3-yl)methanone
PubChem CID65399453
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Namecycloheptyl(oxolan-3-yl)methanone
SMILESO=C(C1CCCCCC1)C1CCOC1
InChIInChI=1S/C12H20O2/c13-12(11-7-8-14-9-11)10-5-3-1-2-4-6-10/h10-11H,1-9H2
InChIKeyHLIVVFYQIVYOAC-UHFFFAOYSA-N
XLogP2.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl(oxan-4-yl)methanone
CID 64982352
(4-aminocyclohexyl)-(oxolan-3-yl)methanone
CID 116557261
oxolan-3-yl-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105099768
cycloheptyl(1,4-dioxan-2-yl)methanone
CID 115875404
dicyclohexylmethanone;formaldehyde
CID 175300134
oxolan-3-yl(pyrrolidin-3-yl)methanone
CID 116568253
oxolan-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105099732
oxan-2-yl(oxan-3-yl)methanone
CID 107138647
(3S)-oxolane-3-carboxamide
CID 67048684
[(3R)-oxan-3-yl]-[(3R)-piperidin-3-yl]methanone
CID 124675211
di(cyclobutyl)methanone
CID 15444458
cyclohexanol;dicyclohexylmethanone
CID 174532304

Frequently Asked Questions

What is the IUPAC name of cycloheptyl(oxolan-3-yl)methanone?
The IUPAC name of cycloheptyl(oxolan-3-yl)methanone (CID 65399453) is cycloheptyl(oxolan-3-yl)methanone.
What is the SMILES notation for cycloheptyl(oxolan-3-yl)methanone?
The canonical SMILES for cycloheptyl(oxolan-3-yl)methanone is O=C(C1CCCCCC1)C1CCOC1.
What is the InChIKey of cycloheptyl(oxolan-3-yl)methanone?
The InChIKey is HLIVVFYQIVYOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c13-12(11-7-8-14-9-11)10-5-3-1-2-4-6-10/h10-11H,1-9H2.
What are the key properties of cycloheptyl(oxolan-3-yl)methanone?
cycloheptyl(oxolan-3-yl)methanone has a molecular weight of 196.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl(oxolan-3-yl)methanone is sourced from PubChem (CID 65399453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).