2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one

C13H22O2 — CID 103131716

IUPAC2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one
SMILESCC1CCC(CC2CCCCCC2=O)O1
InChIInChI=1S/C13H22O2/c1-10-7-8-12(15-10)9-11-5-3-2-4-6-13(11)14/h10-12H,2-9H2,1H3
InChIKeyUGLXTUVFKVAJPB-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.09
Rot. Bonds2

About 2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one

2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one (PubChem CID 103131716) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one
PubChem CID103131716
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one
SMILESCC1CCC(CC2CCCCCC2=O)O1
InChIInChI=1S/C13H22O2/c1-10-7-8-12(15-10)9-11-5-3-2-4-6-13(11)14/h10-12H,2-9H2,1H3
InChIKeyUGLXTUVFKVAJPB-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one?
The IUPAC name of 2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one (CID 103131716) is 2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one.
What is the SMILES notation for 2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one?
The canonical SMILES for 2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one is CC1CCC(CC2CCCCCC2=O)O1.
What is the InChIKey of 2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one?
The InChIKey is UGLXTUVFKVAJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c1-10-7-8-12(15-10)9-11-5-3-2-4-6-13(11)14/h10-12H,2-9H2,1H3.
What are the key properties of 2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one?
2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one has a molecular weight of 210.32 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyloxolan-2-yl)methyl]cycloheptan-1-one is sourced from PubChem (CID 103131716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).