cyclohepten-1-yl(oxolan-3-yl)methanone

C12H18O2 — CID 62078146

IUPACcyclohepten-1-yl(oxolan-3-yl)methanone
SMILESO=C(C1=CCCCCC1)C1CCOC1
InChIInChI=1S/C12H18O2/c13-12(11-7-8-14-9-11)10-5-3-1-2-4-6-10/h5,11H,1-4,6-9H2
InChIKeyDYCVRWYSLZGOHO-UHFFFAOYSA-N
MW194.27 g/mol
LogP2.48
Rot. Bonds2

About cyclohepten-1-yl(oxolan-3-yl)methanone

cyclohepten-1-yl(oxolan-3-yl)methanone (PubChem CID 62078146) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is cyclohepten-1-yl(oxolan-3-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl(oxolan-3-yl)methanone
PubChem CID62078146
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Namecyclohepten-1-yl(oxolan-3-yl)methanone
SMILESO=C(C1=CCCCCC1)C1CCOC1
InChIInChI=1S/C12H18O2/c13-12(11-7-8-14-9-11)10-5-3-1-2-4-6-10/h5,11H,1-4,6-9H2
InChIKeyDYCVRWYSLZGOHO-UHFFFAOYSA-N
XLogP2.48
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze cyclohepten-1-yl(oxolan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Leptodienone B
CID 25110933
Leptodienone A
CID 25110932
1,5,9-Trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-3-one
CID 74423110
1-[(3aS,8aR)-3a-methyl-8-methylidene-3,4,7,8a-tetrahydro-1H-cyclohepta[c]furan-6-yl]ethanone
CID 135055985
1-[(3aS,8aR)-3a-methyl-8-methylidene-3,4,7,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl]ethanone
CID 135056132
1-(8-Methylidene-1,3,3a,4,7,8a-hexahydrocyclohepta[c]furan-6-yl)ethanone
CID 139262195
1-(5-Methyl-8-methylidene-1,3,3a,4,7,8a-hexahydrocyclohepta[c]furan-6-yl)ethanone
CID 139262197
1-(3a-methyl-8-methylidene-3,4,7,8a-tetrahydro-1H-cyclohepta[c]furan-6-yl)ethanone
CID 139262199
1-(8-Methylidene-1,3,3a,4,7,8a-hexahydrocyclohepta[c]furan-5-yl)ethanone
CID 139262218
1-(6-Methyl-8-methylidene-1,3,3a,4,7,8a-hexahydrocyclohepta[c]furan-5-yl)ethanone
CID 139262220
1-(3a-methyl-8-methylidene-3,4,7,8a-tetrahydro-1H-cyclohepta[c]furan-5-yl)ethanone
CID 139262222
(1R,4Z,8E,12R,14S)-1,5,9-trimethyl-12-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8-dien-3-one
CID 102412609

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(oxolan-3-yl)methanone?
The IUPAC name of cyclohepten-1-yl(oxolan-3-yl)methanone (CID 62078146) is cyclohepten-1-yl(oxolan-3-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl(oxolan-3-yl)methanone?
The canonical SMILES for cyclohepten-1-yl(oxolan-3-yl)methanone is O=C(C1=CCCCCC1)C1CCOC1.
What is the InChIKey of cyclohepten-1-yl(oxolan-3-yl)methanone?
The InChIKey is DYCVRWYSLZGOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2/c13-12(11-7-8-14-9-11)10-5-3-1-2-4-6-10/h5,11H,1-4,6-9H2.
What are the key properties of cyclohepten-1-yl(oxolan-3-yl)methanone?
cyclohepten-1-yl(oxolan-3-yl)methanone has a molecular weight of 194.27 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(oxolan-3-yl)methanone is sourced from PubChem (CID 62078146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).