cyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone

C17H26O3 — CID 103450456

IUPACcyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1=CCCCCC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H26O3/c18-16(14-5-3-1-2-4-6-14)15-7-10-20-17(13-15)8-11-19-12-9-17/h5,15H,1-4,6-13H2
InChIKeyBMNSDDBHZJOVJL-UHFFFAOYSA-N
MW278.39 g/mol
LogP3.42
Rot. Bonds2

About cyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone

cyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone (PubChem CID 103450456) has the molecular formula C17H26O3 and a molecular weight of 278.39 g/mol. Its IUPAC name is cyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Namecyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
PubChem CID103450456
Molecular FormulaC17H26O3
Molecular Weight278.39 g/mol
Exact Mass278.19
IUPAC Namecyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
SMILESO=C(C1=CCCCCC1)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C17H26O3/c18-16(14-5-3-1-2-4-6-14)15-7-10-20-17(13-15)8-11-19-12-9-17/h5,15H,1-4,6-13H2
InChIKeyBMNSDDBHZJOVJL-UHFFFAOYSA-N
XLogP3.42
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-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

Frequently Asked Questions

What is the IUPAC name of cyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of cyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone (CID 103450456) is cyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for cyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for cyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone is O=C(C1=CCCCCC1)C1CCOC2(CCOCC2)C1.
What is the InChIKey of cyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is BMNSDDBHZJOVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O3/c18-16(14-5-3-1-2-4-6-14)15-7-10-20-17(13-15)8-11-19-12-9-17/h5,15H,1-4,6-13H2.
What are the key properties of cyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone?
cyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 278.39 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepten-1-yl(1,9-dioxaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 103450456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).